4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione

C25H25N3O3 — CID 58386943

IUPAC4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione
SMILESC#Cc1cnc(C(=O)Cc2ccc(C3CC(=O)N(C)C(=O)C3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C25H25N3O3/c1-3-20-15-26-25(27-20)22(29)12-18-10-9-17(11-21(18)16-7-5-4-6-8-16)19-13-23(30)28(2)24(31)14-19/h1,7,9-11,15,19H,4-6,8,12-14H2,2H3,(H,26,27)
InChIKeyDKTVVXNKTSGLMH-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.64
Rot. Bonds5

About 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione

4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione (PubChem CID 58386943) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione
PubChem CID58386943
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione
SMILESC#Cc1cnc(C(=O)Cc2ccc(C3CC(=O)N(C)C(=O)C3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C25H25N3O3/c1-3-20-15-26-25(27-20)22(29)12-18-10-9-17(11-21(18)16-7-5-4-6-8-16)19-13-23(30)28(2)24(31)14-19/h1,7,9-11,15,19H,4-6,8,12-14H2,2H3,(H,26,27)
InChIKeyDKTVVXNKTSGLMH-UHFFFAOYSA-N
XLogP3.64
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione 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

4-cyano-N-(2-cyclohexenyl-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 25104233
L-Prolinamide, N-acetyl-I(2)-phenyl-D-phenylalanyl-N-[3-(1H-imidazol-4-yl)-2-propynyl]-
CID 44326854
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 24819322
1-[(2S)-2-(5-cyclopropyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
CID 52943320
1-[(2S)-2-(5-benzyl-1H-imidazole-2-carbonyl)pyrrolidin-1-yl]-3-(4-phenylphenyl)propan-1-one
CID 52944026
3-(Biphenyl-4-yl)-1-[(2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 52944799
3-(Biphenyl-4-yl)-1-{(2S)-2-[5-(propan-2-yl)-1H-imidazol-2-yl]-pyrrolidin-1-yl}propan-1-one
CID 52947260
3-(Biphenyl-4-yl)-1-{(2S)-2-[5-(2,2,2-trifluoroethyl)-1H-imidazol-2-yl]pyrrolidin-1-yl}propan-1-one
CID 52948472
3-(Biphenyl-4-yl)-1-{(2S)-2-[5-(prop-1-en-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}propan-1-one
CID 52948473
3-cyclohexyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 44211341
1-(1-L-histidyl-4-phenyl-4-piperidinyl)ethanone
CID 70734417
1-[(4-Methyl-1H-imidazol-2-YL)methyl]-5,5-diphenylpiperidin-2-one
CID 72856521

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione?
The IUPAC name of 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione (CID 58386943) is 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione is C#Cc1cnc(C(=O)Cc2ccc(C3CC(=O)N(C)C(=O)C3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione?
The InChIKey is DKTVVXNKTSGLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-3-20-15-26-25(27-20)22(29)12-18-10-9-17(11-21(18)16-7-5-4-6-8-16)19-13-23(30)28(2)24(31)14-19/h1,7,9-11,15,19H,4-6,8,12-14H2,2H3,(H,26,27).
What are the key properties of 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione?
4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione has a molecular weight of 415.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 58386943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).