4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide

C25H30N6O3 — CID 11576269

IUPAC4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)NCCO)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C25H30N6O3/c26-15-20-16-28-23(29-20)24(33)30-22-7-6-19(14-21(22)18-4-2-1-3-5-18)17-8-11-31(12-9-17)25(34)27-10-13-32/h4,6-7,14,16-17,32H,1-3,5,8-13H2,(H,27,34)(H,28,29)(H,30,33)
InChIKeySWPGDCRPXQMSIA-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.37
Rot. Bonds6

About 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide

4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 11576269) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID11576269
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)NCCO)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C25H30N6O3/c26-15-20-16-28-23(29-20)24(33)30-22-7-6-19(14-21(22)18-4-2-1-3-5-18)17-8-11-31(12-9-17)25(34)27-10-13-32/h4,6-7,14,16-17,32H,1-3,5,8-13H2,(H,27,34)(H,28,29)(H,30,33)
InChIKeySWPGDCRPXQMSIA-UHFFFAOYSA-N
XLogP3.37
TPSA134.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide (CID 11576269) is 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)NCCO)CC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is SWPGDCRPXQMSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c26-15-20-16-28-23(29-20)24(33)30-22-7-6-19(14-21(22)18-4-2-1-3-5-18)17-8-11-31(12-9-17)25(34)27-10-13-32/h4,6-7,14,16-17,32H,1-3,5,8-13H2,(H,27,34)(H,28,29)(H,30,33).
What are the key properties of 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide?
4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.37, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-cyano-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]-N-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 11576269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).