N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide

C25H36N4O2 — CID 46328254

IUPACN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)C3(n4cccc4)CCCCC3)CC2)cc1
InChIInChI=1S/C25H36N4O2/c1-31-23-10-8-22(9-11-23)28-20-18-27(19-21-28)15-7-14-26-24(30)25(12-3-2-4-13-25)29-16-5-6-17-29/h5-6,8-11,16-17H,2-4,7,12-15,18-21H2,1H3,(H,26,30)
InChIKeyLIANJAHQUGUJNG-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.48
Rot. Bonds8

About N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide

N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide (PubChem CID 46328254) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
PubChem CID46328254
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC NameN-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide
SMILESCOc1ccc(N2CCN(CCCNC(=O)C3(n4cccc4)CCCCC3)CC2)cc1
InChIInChI=1S/C25H36N4O2/c1-31-23-10-8-22(9-11-23)28-20-18-27(19-21-28)15-7-14-26-24(30)25(12-3-2-4-13-25)29-16-5-6-17-29/h5-6,8-11,16-17H,2-4,7,12-15,18-21H2,1H3,(H,26,30)
InChIKeyLIANJAHQUGUJNG-UHFFFAOYSA-N
XLogP3.48
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-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'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380
3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N'-(2-methylphenyl)oxamide
CID 42390414
1-[2-(4-fluorophenyl)ethyl]-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 39977337
2-(2,6-dimethylphenoxy)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 31568257
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dimethylbenzamide
CID 42224706
N'-(3,5-dimethylphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42390295
ethyl 4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]-1,4-diazepane-1-carboxylate
CID 51129464
N'-(2,4-dimethoxyphenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42390322

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide (CID 46328254) is N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide is COc1ccc(N2CCN(CCCNC(=O)C3(n4cccc4)CCCCC3)CC2)cc1.
What is the InChIKey of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide?
The InChIKey is LIANJAHQUGUJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-31-23-10-8-22(9-11-23)28-20-18-27(19-21-28)15-7-14-26-24(30)25(12-3-2-4-13-25)29-16-5-6-17-29/h5-6,8-11,16-17H,2-4,7,12-15,18-21H2,1H3,(H,26,30).
What are the key properties of N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide?
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-pyrrol-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 46328254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).