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

C24H27N5O2 — CID 11517292

IUPACN-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESCC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1
InChIInChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31)
InChIKeyUKGCAEYEQULSSN-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.22
Rot. Bonds4

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

N-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (PubChem CID 11517292) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
PubChem CID11517292
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESCC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1
InChIInChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31)
InChIKeyUKGCAEYEQULSSN-UHFFFAOYSA-N
XLogP4.22
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (CID 11517292) is N-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1.
What is the InChIKey of N-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The InChIKey is UKGCAEYEQULSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16(30)29-11-9-17(10-12-29)19-7-8-22(21(13-19)18-5-3-2-4-6-18)28-24(31)23-26-15-20(14-25)27-23/h5,7-8,13,15,17H,2-4,6,9-12H2,1H3,(H,26,27)(H,28,31).
What are the key properties of N-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
N-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetylpiperidin-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11517292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).