4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde

C54H70Br2N14O9 — CID 160725228

IUPAC4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde
SMILESNC1CCN(C=O)CC1.Nc1c(Br)cc(-c2cn(C3CCN(C=O)CC3)c(=O)[nH]2)cc1Br.O=CN1CCC(=O)CC1.O=CN1CCC(N2CNc3ccccc3C2=O)CC1.O=CN1CCC(N2Cc3cnccc3NC2=O)CC1
InChIInChI=1S/C15H16Br2N4O2.C14H17N3O2.C13H16N4O2.C6H12N2O.C6H9NO2/c16-11-5-9(6-12(17)14(11)18)13-7-21(15(23)19-13)10-1-3-20(8-22)4-2-10;18-10-16-7-5-11(6-8-16)17-9-15-13-4-2-1-3-12(13)14(17)19;18-9-16-5-2-11(3-6-16)17-8-10-7-14-4-1-12(10)15-13(17)19;7-6-1-3-8(5-9)4-2-6;8-5-7-3-1-6(9)2-4-7/h5-8,10H,1-4,18H2,(H,19,23);1-4,10-11,15H,5-9H2;1,4,7,9,11H,2-3,5-6,8H2,(H,15,19);5-6H,1-4,7H2;5H,1-4H2
InChIKeyRTPUKDLPQGFRDM-UHFFFAOYSA-N
MW1219.05 g/mol
LogP4.30
Rot. Bonds9

About 4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde

4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde (PubChem CID 160725228) has the molecular formula C54H70Br2N14O9 and a molecular weight of 1219.05 g/mol. Its IUPAC name is 4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde
PubChem CID160725228
Molecular FormulaC54H70Br2N14O9
Molecular Weight1219.05 g/mol
Exact Mass1216.38
IUPAC Name4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde
SMILESNC1CCN(C=O)CC1.Nc1c(Br)cc(-c2cn(C3CCN(C=O)CC3)c(=O)[nH]2)cc1Br.O=CN1CCC(=O)CC1.O=CN1CCC(N2CNc3ccccc3C2=O)CC1.O=CN1CCC(N2Cc3cnccc3NC2=O)CC1
InChIInChI=1S/C15H16Br2N4O2.C14H17N3O2.C13H16N4O2.C6H12N2O.C6H9NO2/c16-11-5-9(6-12(17)14(11)18)13-7-21(15(23)19-13)10-1-3-20(8-22)4-2-10;18-10-16-7-5-11(6-8-16)17-9-15-13-4-2-1-3-12(13)14(17)19;18-9-16-5-2-11(3-6-16)17-8-10-7-14-4-1-12(10)15-13(17)19;7-6-1-3-8(5-9)4-2-6;8-5-7-3-1-6(9)2-4-7/h5-8,10H,1-4,18H2,(H,19,23);1-4,10-11,15H,5-9H2;1,4,7,9,11H,2-3,5-6,8H2,(H,15,19);5-6H,1-4,7H2;5H,1-4H2
InChIKeyRTPUKDLPQGFRDM-UHFFFAOYSA-N
XLogP4.30
TPSA286.02 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001219.05
LogP ≤ 54.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde with MolForge

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Related Compounds

4-(2-oxo-1,4-dihydropyrido[3,4-d]pyrimidin-3-yl)piperidine-1-carbaldehyde
CID 22945751
4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
CID 22945766
3-[1-[1-(4-amino-3,5-dibromobenzoyl)azetidin-3-yl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 21109789
1-(4-amino-3,5-dibromophenyl)-4-[4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidin-1-yl]butane-1,4-dione
CID 21109757
N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-oxo-1-(4-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 22945456
N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 11721849
4-(6,7-dimethoxy-2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde
CID 22945783
[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 71055677
3-piperidin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 131727241
ethane;3-(1-hydroxypiperidin-4-yl)-1,4-dihydroquinazolin-2-one
CID 145302295
N-[(2R)-3-(4-amino-3,5-dibromophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 22945490
(2R)-2-amino-3-(4-amino-3,5-dibromophenyl)-2-[1-[3-(dimethylamino)propyl]-5-phenylimidazol-2-yl]propanoic acid;3-piperidin-4-yl-1,4-dihydroquinazolin-2-one
CID 69376611

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde?
The IUPAC name of 4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde (CID 160725228) is 4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde?
The canonical SMILES for 4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde is NC1CCN(C=O)CC1.Nc1c(Br)cc(-c2cn(C3CCN(C=O)CC3)c(=O)[nH]2)cc1Br.O=CN1CCC(=O)CC1.O=CN1CCC(N2CNc3ccccc3C2=O)CC1.O=CN1CCC(N2Cc3cnccc3NC2=O)CC1.
What is the InChIKey of 4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde?
The InChIKey is RTPUKDLPQGFRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N4O2.C14H17N3O2.C13H16N4O2.C6H12N2O.C6H9NO2/c16-11-5-9(6-12(17)14(11)18)13-7-21(15(23)19-13)10-1-3-20(8-22)4-2-10;18-10-16-7-5-11(6-8-16)17-9-15-13-4-2-1-3-12(13)14(17)19;18-9-16-5-2-11(3-6-16)17-8-10-7-14-4-1-12(10)15-13(17)19;7-6-1-3-8(5-9)4-2-6;8-5-7-3-1-6(9)2-4-7/h5-8,10H,1-4,18H2,(H,19,23);1-4,10-11,15H,5-9H2;1,4,7,9,11H,2-3,5-6,8H2,(H,15,19);5-6H,1-4,7H2;5H,1-4H2.
What are the key properties of 4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde?
4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde has a molecular weight of 1219.05 g/mol, XLogP of 4.30, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-3,5-dibromophenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde;4-aminopiperidine-1-carbaldehyde;4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)piperidine-1-carbaldehyde;4-(4-oxo-1,2-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-oxopiperidine-1-carbaldehyde is sourced from PubChem (CID 160725228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).