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

C28H34N6O3 — CID 11511719

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)CN4CCOCC4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C28H34N6O3/c29-17-23-18-30-27(31-23)28(36)32-25-7-6-22(16-24(25)21-4-2-1-3-5-21)20-8-10-34(11-9-20)26(35)19-33-12-14-37-15-13-33/h4,6-7,16,18,20H,1-3,5,8-15,19H2,(H,30,31)(H,32,36)
InChIKeyYEEBLJFZYXYIOQ-UHFFFAOYSA-N
MW502.62 g/mol
LogP3.53
Rot. Bonds6

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

5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (PubChem CID 11511719) has the molecular formula C28H34N6O3 and a molecular weight of 502.62 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
PubChem CID11511719
Molecular FormulaC28H34N6O3
Molecular Weight502.62 g/mol
Exact Mass502.27
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)CN4CCOCC4)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C28H34N6O3/c29-17-23-18-30-27(31-23)28(36)32-25-7-6-22(16-24(25)21-4-2-1-3-5-21)20-8-10-34(11-9-20)26(35)19-33-12-14-37-15-13-33/h4,6-7,16,18,20H,1-3,5,8-15,19H2,(H,30,31)(H,32,36)
InChIKeyYEEBLJFZYXYIOQ-UHFFFAOYSA-N
XLogP3.53
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide (CID 11511719) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(C3CCN(C(=O)CN4CCOCC4)CC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is YEEBLJFZYXYIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3/c29-17-23-18-30-27(31-23)28(36)32-25-7-6-22(16-24(25)21-4-2-1-3-5-21)20-8-10-34(11-9-20)26(35)19-33-12-14-37-15-13-33/h4,6-7,16,18,20H,1-3,5,8-15,19H2,(H,30,31)(H,32,36).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 11511719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).