4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde

C116H127F6N23O15 — CID 158759381

IUPAC4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1.O=CN1CCC(N2Cc3ccncc3NC2=O)CC1.O=CN1CCC(c2cc3ccccc3[nH]c2=O)CC1.O=CN1CCC(n2c(-c3ccccc3)c(-c3ccccc3)[nH]c2=O)CC1.O=CN1CCC(n2c(=O)[nH]c3c4ccccc4ncc32)CC1.O=CN1CCC(n2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2=O)CC1.O=CN1CCC(n2cc(-c3cccc(O)c3)[nH]c2=O)CC1
InChIInChI=1S/C21H21N3O2.C19H26N4O2.C17H15F6N3O2.C16H16N4O2.C15H17N3O3.C15H16N2O2.C13H16N4O2/c25-15-23-13-11-18(12-14-23)24-20(17-9-5-2-6-10-17)19(22-21(24)26)16-7-3-1-4-8-16;24-14-21-9-5-16(6-10-21)22-11-7-17(8-12-22)23-13-15-3-1-2-4-18(15)20-19(23)25;18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)14-8-26(15(28)24-14)13-1-3-25(9-27)4-2-13;21-10-19-7-5-11(6-8-19)20-14-9-17-13-4-2-1-3-12(13)15(14)18-16(20)22;19-10-17-6-4-12(5-7-17)18-9-14(16-15(18)21)11-2-1-3-13(20)8-11;18-10-17-7-5-11(6-8-17)13-9-12-3-1-2-4-14(12)16-15(13)19;18-9-16-5-2-11(3-6-16)17-8-10-1-4-14-7-12(10)15-13(17)19/h1-10,15,18H,11-14H2,(H,22,26);1-4,14,16-17H,5-13H2,(H,20,25);5-9,13H,1-4H2,(H,24,28);1-4,9-11H,5-8H2,(H,18,22);1-3,8-10,12,20H,4-7H2,(H,16,21);1-4,9-11H,5-8H2,(H,16,19);1,4,7,9,11H,2-3,5-6,8H2,(H,15,19)
InChIKeyIOLVVIVVRQIASX-UHFFFAOYSA-N
MW2197.43 g/mol
LogP15.02
Rot. Bonds19

About 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde

4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde (PubChem CID 158759381) has the molecular formula C116H127F6N23O15 and a molecular weight of 2197.43 g/mol. Its IUPAC name is 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde
PubChem CID158759381
Molecular FormulaC116H127F6N23O15
Molecular Weight2197.43 g/mol
Exact Mass2195.98
IUPAC Name4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1.O=CN1CCC(N2Cc3ccncc3NC2=O)CC1.O=CN1CCC(c2cc3ccccc3[nH]c2=O)CC1.O=CN1CCC(n2c(-c3ccccc3)c(-c3ccccc3)[nH]c2=O)CC1.O=CN1CCC(n2c(=O)[nH]c3c4ccccc4ncc32)CC1.O=CN1CCC(n2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2=O)CC1.O=CN1CCC(n2cc(-c3cccc(O)c3)[nH]c2=O)CC1
InChIInChI=1S/C21H21N3O2.C19H26N4O2.C17H15F6N3O2.C16H16N4O2.C15H17N3O3.C15H16N2O2.C13H16N4O2/c25-15-23-13-11-18(12-14-23)24-20(17-9-5-2-6-10-17)19(22-21(24)26)16-7-3-1-4-8-16;24-14-21-9-5-16(6-10-21)22-11-7-17(8-12-22)23-13-15-3-1-2-4-18(15)20-19(23)25;18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)14-8-26(15(28)24-14)13-1-3-25(9-27)4-2-13;21-10-19-7-5-11(6-8-19)20-14-9-17-13-4-2-1-3-12(13)15(14)18-16(20)22;19-10-17-6-4-12(5-7-17)18-9-14(16-15(18)21)11-2-1-3-13(20)8-11;18-10-17-7-5-11(6-8-17)13-9-12-3-1-2-4-14(12)16-15(13)19;18-9-16-5-2-11(3-6-16)17-8-10-1-4-14-7-12(10)15-13(17)19/h1-10,15,18H,11-14H2,(H,22,26);1-4,14,16-17H,5-13H2,(H,20,25);5-9,13H,1-4H2,(H,24,28);1-4,9-11H,5-8H2,(H,18,22);1-3,8-10,12,20H,4-7H2,(H,16,21);1-4,9-11H,5-8H2,(H,16,19);1,4,7,9,11H,2-3,5-6,8H2,(H,15,19)
InChIKeyIOLVVIVVRQIASX-UHFFFAOYSA-N
XLogP15.02
TPSA440.12 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002197.43
LogP ≤ 515.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one
CID 157256339

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde (CID 158759381) is 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde is O=CN1CCC(N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1.O=CN1CCC(N2Cc3ccncc3NC2=O)CC1.O=CN1CCC(c2cc3ccccc3[nH]c2=O)CC1.O=CN1CCC(n2c(-c3ccccc3)c(-c3ccccc3)[nH]c2=O)CC1.O=CN1CCC(n2c(=O)[nH]c3c4ccccc4ncc32)CC1.O=CN1CCC(n2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2=O)CC1.O=CN1CCC(n2cc(-c3cccc(O)c3)[nH]c2=O)CC1.
What is the InChIKey of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde?
The InChIKey is IOLVVIVVRQIASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2.C19H26N4O2.C17H15F6N3O2.C16H16N4O2.C15H17N3O3.C15H16N2O2.C13H16N4O2/c25-15-23-13-11-18(12-14-23)24-20(17-9-5-2-6-10-17)19(22-21(24)26)16-7-3-1-4-8-16;24-14-21-9-5-16(6-10-21)22-11-7-17(8-12-22)23-13-15-3-1-2-4-18(15)20-19(23)25;18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)14-8-26(15(28)24-14)13-1-3-25(9-27)4-2-13;21-10-19-7-5-11(6-8-19)20-14-9-17-13-4-2-1-3-12(13)15(14)18-16(20)22;19-10-17-6-4-12(5-7-17)18-9-14(16-15(18)21)11-2-1-3-13(20)8-11;18-10-17-7-5-11(6-8-17)13-9-12-3-1-2-4-14(12)16-15(13)19;18-9-16-5-2-11(3-6-16)17-8-10-1-4-14-7-12(10)15-13(17)19/h1-10,15,18H,11-14H2,(H,22,26);1-4,14,16-17H,5-13H2,(H,20,25);5-9,13H,1-4H2,(H,24,28);1-4,9-11H,5-8H2,(H,18,22);1-3,8-10,12,20H,4-7H2,(H,16,21);1-4,9-11H,5-8H2,(H,16,19);1,4,7,9,11H,2-3,5-6,8H2,(H,15,19).
What are the key properties of 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde?
4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde has a molecular weight of 2197.43 g/mol, XLogP of 15.02, 19 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-[5-(3-hydroxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]piperidine-1-carbaldehyde;4-(2-oxo-4,5-diphenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-c]quinolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 158759381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).