1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide

C27H39N3O2 — CID 70948774

IUPAC1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
SMILESCCc1ccc(OC)cc1-c1cc(C(=O)NN2CCCCC2)c(C)n1CC1CCCCC1
InChIInChI=1S/C27H39N3O2/c1-4-22-13-14-23(32-3)17-25(22)26-18-24(27(31)28-29-15-9-6-10-16-29)20(2)30(26)19-21-11-7-5-8-12-21/h13-14,17-18,21H,4-12,15-16,19H2,1-3H3,(H,28,31)
InChIKeySVJJFBIIIZMTEQ-UHFFFAOYSA-N
MW437.63 g/mol
LogP5.75
Rot. Bonds7

About 1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide

1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide (PubChem CID 70948774) has the molecular formula C27H39N3O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
PubChem CID70948774
Molecular FormulaC27H39N3O2
Molecular Weight437.63 g/mol
Exact Mass437.30
IUPAC Name1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
SMILESCCc1ccc(OC)cc1-c1cc(C(=O)NN2CCCCC2)c(C)n1CC1CCCCC1
InChIInChI=1S/C27H39N3O2/c1-4-22-13-14-23(32-3)17-25(22)26-18-24(27(31)28-29-15-9-6-10-16-29)20(2)30(26)19-21-11-7-5-8-12-21/h13-14,17-18,21H,4-12,15-16,19H2,1-3H3,(H,28,31)
InChIKeySVJJFBIIIZMTEQ-UHFFFAOYSA-N
XLogP5.75
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclobutyl-1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 70948738
5-[3,5-bis(trifluoromethyl)phenyl]-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
CID 58999141
N-[1-[1-(cyclohexylmethyl)-5-(4-methoxy-2-methylphenyl)-2-methylpyrrol-3-yl]ethenyl]cyclohexanamine
CID 89127612
N-cyclohexyl-1-(cyclohexylmethyl)-5-(5-fluoro-2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 58999057
2-amino-5-methoxy-N-piperidin-1-ylbenzamide
CID 83013031
ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 10759813
N'-butyl-5-(5-chloro-2-methoxy-4-methylphenyl)-1-(cyclohexylmethyl)-N'-ethyl-2-methylpyrrole-3-carbohydrazide
CID 70985602
N-butyl-1-(cyclohexylmethyl)-5-[4-(2,2-difluoroethoxy)phenyl]-2-methylpyrrole-3-carboxamide
CID 153011506
1-(cyclohexylmethyl)-N-(3,4-dichlorophenyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 58740241
4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
CID 91209965
1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide
CID 58999025
1-(cyclohexylmethyl)-5-(2,5-difluorophenyl)-N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-2-methylpyrrole-3-carboxamide
CID 58999035

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide (CID 70948774) is 1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide is CCc1ccc(OC)cc1-c1cc(C(=O)NN2CCCCC2)c(C)n1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide?
The InChIKey is SVJJFBIIIZMTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2/c1-4-22-13-14-23(32-3)17-25(22)26-18-24(27(31)28-29-15-9-6-10-16-29)20(2)30(26)19-21-11-7-5-8-12-21/h13-14,17-18,21H,4-12,15-16,19H2,1-3H3,(H,28,31).
What are the key properties of 1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide?
1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide has a molecular weight of 437.63 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-(2-ethyl-5-methoxyphenyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide is sourced from PubChem (CID 70948774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).