N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide

C19H29N3O — CID 143609284

IUPACN-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide
SMILESCC(NC(=O)c1ccc(N2CCN(C)CC2)cc1)C1CCCC1
InChIInChI=1S/C19H29N3O/c1-15(16-5-3-4-6-16)20-19(23)17-7-9-18(10-8-17)22-13-11-21(2)12-14-22/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,20,23)
InChIKeyAWCKDDPQDLUIJJ-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.75
Rot. Bonds4

About N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide

N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 143609284) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID143609284
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide
SMILESCC(NC(=O)c1ccc(N2CCN(C)CC2)cc1)C1CCCC1
InChIInChI=1S/C19H29N3O/c1-15(16-5-3-4-6-16)20-19(23)17-7-9-18(10-8-17)22-13-11-21(2)12-14-22/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,20,23)
InChIKeyAWCKDDPQDLUIJJ-UHFFFAOYSA-N
XLogP2.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide;3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrole-4-carbaldehyde
CID 143609282
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
N-[(1S)-1-cyclohexyl-2-oxo-2-(3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)ethyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 68780493
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809
4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
CID 102851926
N-[(1S)-2-[(3aS,6S,6aS)-6-fluoro-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24965610
N-[(1R)-1-cyclohexylethyl]-5-hydroxy-2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137297084
N-[(1S)-2-[(3aS,6R,6aR)-6-cyclopropyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl]-1-cyclohexyl-2-oxoethyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 67048474
4-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043983
N'-[(1S)-1-cyclopropylethyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 94182334
(1S)-1-cyclopentyl-1-[[hydroxy-[4-(4-methylpiperazin-1-yl)phenyl]methyl]amino]propan-2-one
CID 163894410

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide (CID 143609284) is N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide is CC(NC(=O)c1ccc(N2CCN(C)CC2)cc1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is AWCKDDPQDLUIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15(16-5-3-4-6-16)20-19(23)17-7-9-18(10-8-17)22-13-11-21(2)12-14-22/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,20,23).
What are the key properties of N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide?
N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 315.46 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 143609284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).