(4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone

C21H31N3O — CID 77086044

IUPAC(4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESCN1CCN(C(=O)C2(N3CCCC3)CCCC2)CC1c1ccccc1
InChIInChI=1S/C21H31N3O/c1-22-15-16-23(17-19(22)18-9-3-2-4-10-18)20(25)21(11-5-6-12-21)24-13-7-8-14-24/h2-4,9-10,19H,5-8,11-17H2,1H3
InChIKeyXWXWTCKBECOOEH-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.91
Rot. Bonds3

About (4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone

(4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone (PubChem CID 77086044) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is (4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
PubChem CID77086044
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name(4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESCN1CCN(C(=O)C2(N3CCCC3)CCCC2)CC1c1ccccc1
InChIInChI=1S/C21H31N3O/c1-22-15-16-23(17-19(22)18-9-3-2-4-10-18)20(25)21(11-5-6-12-21)24-13-7-8-14-24/h2-4,9-10,19H,5-8,11-17H2,1H3
InChIKeyXWXWTCKBECOOEH-UHFFFAOYSA-N
XLogP2.91
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The IUPAC name of (4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone (CID 77086044) is (4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for (4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The canonical SMILES for (4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone is CN1CCN(C(=O)C2(N3CCCC3)CCCC2)CC1c1ccccc1.
What is the InChIKey of (4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The InChIKey is XWXWTCKBECOOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-22-15-16-23(17-19(22)18-9-3-2-4-10-18)20(25)21(11-5-6-12-21)24-13-7-8-14-24/h2-4,9-10,19H,5-8,11-17H2,1H3.
What are the key properties of (4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone?
(4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone has a molecular weight of 341.50 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 77086044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).