2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide

C25H30ClN3O2 — CID 55584115

IUPAC2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(NC(CC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C25H30ClN3O2/c26-22-13-7-6-12-21(22)25(31)27-23(19-8-2-1-3-9-19)18-24(30)29-16-14-28(15-17-29)20-10-4-5-11-20/h1-3,6-9,12-13,20,23H,4-5,10-11,14-18H2,(H,27,31)
InChIKeyLOCKEGIVCQYEJY-UHFFFAOYSA-N
MW439.99 g/mol
LogP4.29
Rot. Bonds6

About 2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55584115) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
PubChem CID55584115
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(NC(CC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C25H30ClN3O2/c26-22-13-7-6-12-21(22)25(31)27-23(19-8-2-1-3-9-19)18-24(30)29-16-14-28(15-17-29)20-10-4-5-11-20/h1-3,6-9,12-13,20,23H,4-5,10-11,14-18H2,(H,27,31)
InChIKeyLOCKEGIVCQYEJY-UHFFFAOYSA-N
XLogP4.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119400258
N-[(1R)-3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 51534256
2-chloro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 78800152
2-chloro-N-[(1S)-3-[4-(2-methylpropyl)-1,4-diazepan-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 95767762
2-chloro-N-[3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 55720710
2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7688761
2-chloro-N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119648763
2-chloro-N-[3-oxo-1-phenyl-3-(2-pyridin-4-ylazepan-1-yl)propyl]benzamide
CID 55764536
2-chloro-N-[(1R)-3-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 100910462
2-chloro-N-[(1S)-3-(2,3-dihydroindol-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 2115437
2-chloro-N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 55539180
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide (CID 55584115) is 2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide is O=C(NC(CC(=O)N1CCN(C2CCCC2)CC1)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is LOCKEGIVCQYEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c26-22-13-7-6-12-21(22)25(31)27-23(19-8-2-1-3-9-19)18-24(30)29-16-14-28(15-17-29)20-10-4-5-11-20/h1-3,6-9,12-13,20,23H,4-5,10-11,14-18H2,(H,27,31).
What are the key properties of 2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 439.99 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55584115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).