N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide

C20H31N3O — CID 110670044

IUPACN-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
SMILESCN1CCN(CCN(Cc2ccccc2)C(=O)C2CCCC2)CC1
InChIInChI=1S/C20H31N3O/c1-21-11-13-22(14-12-21)15-16-23(17-18-7-3-2-4-8-18)20(24)19-9-5-6-10-19/h2-4,7-8,19H,5-6,9-17H2,1H3
InChIKeyKYEWBHMSPBDVSE-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.45
Rot. Bonds6

About N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide

N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide (PubChem CID 110670044) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
PubChem CID110670044
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
SMILESCN1CCN(CCN(Cc2ccccc2)C(=O)C2CCCC2)CC1
InChIInChI=1S/C20H31N3O/c1-21-11-13-22(14-12-21)15-16-23(17-18-7-3-2-4-8-18)20(24)19-9-5-6-10-19/h2-4,7-8,19H,5-6,9-17H2,1H3
InChIKeyKYEWBHMSPBDVSE-UHFFFAOYSA-N
XLogP2.45
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-[[1-(iodomethyl)-2-oxoquinolin-3-yl]methyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 67404636
4-[2-[cyclohexanecarbonyl-[(4-fluorophenyl)methyl]amino]ethyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 42709601
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
N-[(3-aminophenyl)methyl]-N-propylcyclohexanecarboxamide
CID 43459677
(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28822083
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710174
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 42710160
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110670033

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide?
The IUPAC name of N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide (CID 110670044) is N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide is CN1CCN(CCN(Cc2ccccc2)C(=O)C2CCCC2)CC1.
What is the InChIKey of N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide?
The InChIKey is KYEWBHMSPBDVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-21-11-13-22(14-12-21)15-16-23(17-18-7-3-2-4-8-18)20(24)19-9-5-6-10-19/h2-4,7-8,19H,5-6,9-17H2,1H3.
What are the key properties of N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide?
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide has a molecular weight of 329.49 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 110670044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).