N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide

C20H31N3O — CID 110404018

IUPACN-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide
SMILESCN1CCN(C(CNC(=O)C2CCCC2)Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O/c1-22-11-13-23(14-12-22)19(15-17-7-3-2-4-8-17)16-21-20(24)18-9-5-6-10-18/h2-4,7-8,18-19H,5-6,9-16H2,1H3,(H,21,24)
InChIKeyQCWWPQVCLYOKOE-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide

N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide (PubChem CID 110404018) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide
PubChem CID110404018
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide
SMILESCN1CCN(C(CNC(=O)C2CCCC2)Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O/c1-22-11-13-23(14-12-22)19(15-17-7-3-2-4-8-17)16-21-20(24)18-9-5-6-10-18/h2-4,7-8,18-19H,5-6,9-16H2,1H3,(H,21,24)
InChIKeyQCWWPQVCLYOKOE-UHFFFAOYSA-N
XLogP2.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenyl-2-piperidin-1-ylpropyl)cyclopropanecarboxamide
CID 110403968
3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]butanamide
CID 110404076
2-cyclopropyl-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110611083
2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404026
methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986
2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404030
3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404024
N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 7384699
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide
CID 110404077
1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea
CID 110403915
N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 110403885
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide
CID 51620596

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide (CID 110404018) is N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide is CN1CCN(C(CNC(=O)C2CCCC2)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide?
The InChIKey is QCWWPQVCLYOKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-22-11-13-23(14-12-22)19(15-17-7-3-2-4-8-17)16-21-20(24)18-9-5-6-10-18/h2-4,7-8,18-19H,5-6,9-16H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide?
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide has a molecular weight of 329.49 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide is sourced from PubChem (CID 110404018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).