3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide

C22H26ClN3O2 — CID 110426726

IUPAC3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
SMILESCN1CCN(C(=O)C(NC(=O)CCc2ccccc2Cl)c2ccccc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-25-13-15-26(16-14-25)22(28)21(18-8-3-2-4-9-18)24-20(27)12-11-17-7-5-6-10-19(17)23/h2-10,21H,11-16H2,1H3,(H,24,27)
InChIKeyYPSARNNISFRRAI-UHFFFAOYSA-N
MW399.92 g/mol
LogP2.90
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide

3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide (PubChem CID 110426726) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
PubChem CID110426726
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
SMILESCN1CCN(C(=O)C(NC(=O)CCc2ccccc2Cl)c2ccccc2)CC1
InChIInChI=1S/C22H26ClN3O2/c1-25-13-15-26(16-14-25)22(28)21(18-8-3-2-4-9-18)24-20(27)12-11-17-7-5-6-10-19(17)23/h2-10,21H,11-16H2,1H3,(H,24,27)
InChIKeyYPSARNNISFRRAI-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]butanamide
CID 110286990
3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110306196
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-phenoxybutanamide
CID 110287024
N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]-4-pyridin-3-ylbutanamide
CID 110626227
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]cyclopropanecarboxamide
CID 110286992
3-(3-chlorophenyl)-N-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110626084
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286997
4-(4-chlorophenyl)-4-oxo-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]butanamide
CID 110306132
phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 110287044
3-(2-chlorophenyl)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 26158318
N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]-5-thiophen-2-ylpentanamide
CID 110306130

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide (CID 110426726) is 3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide is CN1CCN(C(=O)C(NC(=O)CCc2ccccc2Cl)c2ccccc2)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
The InChIKey is YPSARNNISFRRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-25-13-15-26(16-14-25)22(28)21(18-8-3-2-4-9-18)24-20(27)12-11-17-7-5-6-10-19(17)23/h2-10,21H,11-16H2,1H3,(H,24,27).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide has a molecular weight of 399.92 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide is sourced from PubChem (CID 110426726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).