5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C22H34N4O — CID 155035279

IUPAC5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCCCNC(=O)N1CC2CC(CN3CCN(c4ccccc4)CC3)CC2C1
InChIInChI=1S/C22H34N4O/c1-2-8-23-22(27)26-16-19-13-18(14-20(19)17-26)15-24-9-11-25(12-10-24)21-6-4-3-5-7-21/h3-7,18-20H,2,8-17H2,1H3,(H,23,27)
InChIKeyORFWTIBSMCSRRZ-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.89
Rot. Bonds5

About 5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 155035279) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID155035279
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESCCCNC(=O)N1CC2CC(CN3CCN(c4ccccc4)CC3)CC2C1
InChIInChI=1S/C22H34N4O/c1-2-8-23-22(27)26-16-19-13-18(14-20(19)17-26)15-24-9-11-25(12-10-24)21-6-4-3-5-7-21/h3-7,18-20H,2,8-17H2,1H3,(H,23,27)
InChIKeyORFWTIBSMCSRRZ-UHFFFAOYSA-N
XLogP2.89
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-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

4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
4-[(4-phenylpiperazine-1-carbonyl)amino]butanoic acid
CID 61183899
N-propyl-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113103275
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-propylguanidine;hydroiodide
CID 111088896
4-phenyl-N-(3-phenylbutyl)-1,4-diazepane-1-carboxamide
CID 86876623

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of 5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 155035279) is 5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for 5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for 5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is CCCNC(=O)N1CC2CC(CN3CCN(c4ccccc4)CC3)CC2C1.
What is the InChIKey of 5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is ORFWTIBSMCSRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-2-8-23-22(27)26-16-19-13-18(14-20(19)17-26)15-24-9-11-25(12-10-24)21-6-4-3-5-7-21/h3-7,18-20H,2,8-17H2,1H3,(H,23,27).
What are the key properties of 5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 155035279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).