4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide

C20H22ClN3O2 — CID 112760576

IUPAC4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O2/c1-15(22-19(25)16-7-9-17(21)10-8-16)20(26)24-13-11-23(12-14-24)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,22,25)
InChIKeyCWSIZANDFDUSPI-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.81
Rot. Bonds4

About 4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide

4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide (PubChem CID 112760576) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
PubChem CID112760576
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H22ClN3O2/c1-15(22-19(25)16-7-9-17(21)10-8-16)20(26)24-13-11-23(12-14-24)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,22,25)
InChIKeyCWSIZANDFDUSPI-UHFFFAOYSA-N
XLogP2.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25351776
1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
2-chloro-N-[(2S)-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 9254602
4-chloro-N-[1-[4-(2-methylpropyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 112765552
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
1,1-dimethyl-3-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 110348022
4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
4-chloro-N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 112763187
4-chloro-N-[1-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 112763066
N-[(2R)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 39911529
4-chloro-N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 126851837

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide (CID 112760576) is 4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide?
The InChIKey is CWSIZANDFDUSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-15(22-19(25)16-7-9-17(21)10-8-16)20(26)24-13-11-23(12-14-24)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,22,25).
What are the key properties of 4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide?
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide has a molecular weight of 371.87 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 112760576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).