N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide

C24H28N6O2 — CID 11524843

IUPACN-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(CC(N)=O)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C24H28N6O2/c25-13-19-14-27-23(28-19)24(32)29-21-7-6-18(12-20(21)17-4-2-1-3-5-17)16-8-10-30(11-9-16)15-22(26)31/h4,6-7,12,14,16H,1-3,5,8-11,15H2,(H2,26,31)(H,27,28)(H,29,32)
InChIKeyWFLCXRISIXFCBZ-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.16
Rot. Bonds6

About N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide

N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (PubChem CID 11524843) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
PubChem CID11524843
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(CC(N)=O)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C24H28N6O2/c25-13-19-14-27-23(28-19)24(32)29-21-7-6-18(12-20(21)17-4-2-1-3-5-17)16-8-10-30(11-9-16)15-22(26)31/h4,6-7,12,14,16H,1-3,5,8-11,15H2,(H2,26,31)(H,27,28)(H,29,32)
InChIKeyWFLCXRISIXFCBZ-UHFFFAOYSA-N
XLogP3.16
TPSA127.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-Cyano-N-(2-Cyclohex-1-En-1-Yl-4-Piperidin-4-Ylphenyl)-1h-Imidazole-2-Carboxamide
CID 11696478
Jnj-28312141
CID 44551653
3,4-Dihydroquinolin-1(2h)-Yl[4-(1h-Imidazol-5-Yl)piperidin-1-Yl]methanone
CID 24895969
5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
CID 11555179
4-[4-[[(5-Cyano-1H-imidazol-2-yl)carbonyl]amino]-3-(1-cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)-1-piperidinecarboxamide
CID 11576269
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-(2-hydroxyethylamino)acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11592380
N-[4-[1-(3-amino-3-methylbutanoyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
CID 11642786
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-[2-[2-hydroxyethyl(methyl)amino]acetyl]piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11664409
4-cyano-N-(2-(1-cyclohexen-1-yl)-4-(1-((dimethylamino)acetyl)-4-piperidinyl)phenyl)-1H-imidazole-2-carboxamide
CID 11676971
4-cyano-N-(2-cyclohexenyl-4-(1,3-dimethyl-2-oxohexahydropyrimidin-5-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783102
4-cyano-N-(4-(2-(cyanoimino)-1,3-dimethylhexahydropyrimidin-5-yl)-2-(4,4-dimethylcyclohex-1-enyl)phenyl)-1H-imidazole-2-carboxamide
CID 24783104
4-cyano-N-(2-cycloheptenyl-4-(1,3-dimethyl-2-oxohexahydropyrimidin-5-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783356

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (CID 11524843) is N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3CCN(CC(N)=O)CC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The InChIKey is WFLCXRISIXFCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c25-13-19-14-27-23(28-19)24(32)29-21-7-6-18(12-20(21)17-4-2-1-3-5-17)16-8-10-30(11-9-16)15-22(26)31/h4,6-7,12,14,16H,1-3,5,8-11,15H2,(H2,26,31)(H,27,28)(H,29,32).
What are the key properties of N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11524843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).