2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile

C27H33N5O2 — CID 147027785

IUPAC2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile
SMILESCN(C)CC(=O)N1CCC(c2ccc(CC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1
InChIInChI=1S/C27H33N5O2/c1-31(2)18-26(34)32-12-10-19(11-13-32)21-8-9-22(24(14-21)20-6-4-3-5-7-20)15-25(33)27-29-17-23(16-28)30-27/h6,8-9,14,17,19H,3-5,7,10-13,15,18H2,1-2H3,(H,29,30)
InChIKeyAWZJBIMAYLUAGU-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.93
Rot. Bonds7

About 2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile

2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile (PubChem CID 147027785) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile
PubChem CID147027785
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile
SMILESCN(C)CC(=O)N1CCC(c2ccc(CC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1
InChIInChI=1S/C27H33N5O2/c1-31(2)18-26(34)32-12-10-19(11-13-32)21-8-9-22(24(14-21)20-6-4-3-5-7-20)15-25(33)27-29-17-23(16-28)30-27/h6,8-9,14,17,19H,3-5,7,10-13,15,18H2,1-2H3,(H,29,30)
InChIKeyAWZJBIMAYLUAGU-UHFFFAOYSA-N
XLogP3.93
TPSA93.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile with MolForge

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Related Compounds

Jnj-28312141
CID 44551653
4-((S)-2-amino-3-oxo-3-((S)-2-(4-phenyl-1H-imidazol-2-yl)piperidin-1-yl)propyl)-3,5-dimethylbenzamide
CID 10343492
N-[4-[1-(3-amino-3-methylbutanoyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
CID 11642786
4-cyano-N-(2-(1-cyclohexen-1-yl)-4-(1-((dimethylamino)acetyl)-4-piperidinyl)phenyl)-1H-imidazole-2-carboxamide
CID 11676971
(S)-1-methyl-N-(1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-oxooctyl)piperidine-4-carboxamide
CID 16049824
4-cyano-N-(2-cyclohexenyl-4-(1,3-dimethyl-2-oxohexahydropyrimidin-5-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783102
4-cyano-N-(2-cycloheptenyl-4-(1,3-dimethyl-2-oxohexahydropyrimidin-5-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783356
4-cyano-N-(4-(1,3-dimethyl-2-oxohexahydropyrimidin-5-yl)-2-(4,4-dimethylcyclohex-1-enyl)phenyl)-1H-imidazole-2-carboxamide
CID 24783357
4-cyano-N-(2-(4,4-dimethylcyclohex-1-enyl)-4-(2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783358
4-cyano-N-(2-cyclohexenyl-4-(2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24785380
4-cyano-N-(2-cyclohexenyl-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 25104233
(2S)-6-methyl-N-[(1S)-1-[5-(2-methyl-1-oxoisoquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 147833215

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile?
The IUPAC name of 2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile (CID 147027785) is 2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile?
The canonical SMILES for 2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile is CN(C)CC(=O)N1CCC(c2ccc(CC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1.
What is the InChIKey of 2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile?
The InChIKey is AWZJBIMAYLUAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-31(2)18-26(34)32-12-10-19(11-13-32)21-8-9-22(24(14-21)20-6-4-3-5-7-20)15-25(33)27-29-17-23(16-28)30-27/h6,8-9,14,17,19H,3-5,7,10-13,15,18H2,1-2H3,(H,29,30).
What are the key properties of 2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile?
2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile has a molecular weight of 459.59 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(cyclohexen-1-yl)-4-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]phenyl]acetyl]-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 147027785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).