N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide

C30H36N4O3 — CID 42792081

IUPACN-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)NC4CCCCC4)CC3)c(C)n2-c2ccccc2)cc1
InChIInChI=1S/C30H36N4O3/c1-22-27(29(35)32-17-19-33(20-18-32)30(36)31-24-9-5-3-6-10-24)21-28(23-13-15-26(37-2)16-14-23)34(22)25-11-7-4-8-12-25/h4,7-8,11-16,21,24H,3,5-6,9-10,17-20H2,1-2H3,(H,31,36)
InChIKeyPDBPLNWKUJVCLS-UHFFFAOYSA-N
MW500.64 g/mol
LogP5.26
Rot. Bonds5

About N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide

N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide (PubChem CID 42792081) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide
PubChem CID42792081
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC NameN-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)NC4CCCCC4)CC3)c(C)n2-c2ccccc2)cc1
InChIInChI=1S/C30H36N4O3/c1-22-27(29(35)32-17-19-33(20-18-32)30(36)31-24-9-5-3-6-10-24)21-28(23-13-15-26(37-2)16-14-23)34(22)25-11-7-4-8-12-25/h4,7-8,11-16,21,24H,3,5-6,9-10,17-20H2,1-2H3,(H,31,36)
InChIKeyPDBPLNWKUJVCLS-UHFFFAOYSA-N
XLogP5.26
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazine-1-carboxamide
CID 4256960
1-[4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 7231152
N-cyclohexyl-4-[5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperazine-1-carboxamide
CID 42666402
N-cyclohexyl-5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
CID 7356100
cyclohexyl-[4-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]methanone
CID 42791959
[4-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42792027
4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3640517
(4-benzylpiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methanone
CID 42665829
4-[5-(3-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42789154
1-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone
CID 4570149
[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]-pyrrolidin-1-ylmethanone
CID 7231060
1-[4-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]-2-phenylethanone
CID 4273924

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide (CID 42792081) is N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide is COc1ccc(-c2cc(C(=O)N3CCN(C(=O)NC4CCCCC4)CC3)c(C)n2-c2ccccc2)cc1.
What is the InChIKey of N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide?
The InChIKey is PDBPLNWKUJVCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-22-27(29(35)32-17-19-33(20-18-32)30(36)31-24-9-5-3-6-10-24)21-28(23-13-15-26(37-2)16-14-23)34(22)25-11-7-4-8-12-25/h4,7-8,11-16,21,24H,3,5-6,9-10,17-20H2,1-2H3,(H,31,36).
What are the key properties of N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide has a molecular weight of 500.64 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[5-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 42792081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).