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

C23H29N3O2 — CID 110306196

IUPAC3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
SMILESCc1ccc(CCC(=O)N[C@H](C(=O)N2CCN(C)CC2)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-18-8-10-19(11-9-18)12-13-21(27)24-22(20-6-4-3-5-7-20)23(28)26-16-14-25(2)15-17-26/h3-11,22H,12-17H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyVJWDJYZFEYVBGY-QFIPXVFZSA-N
MW379.50 g/mol
LogP2.56
Rot. Bonds6

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

3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide (PubChem CID 110306196) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
PubChem CID110306196
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
SMILESCc1ccc(CCC(=O)N[C@H](C(=O)N2CCN(C)CC2)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-18-8-10-19(11-9-18)12-13-21(27)24-22(20-6-4-3-5-7-20)23(28)26-16-14-25(2)15-17-26/h3-11,22H,12-17H2,1-2H3,(H,24,27)/t22-/m0/s1
InChIKeyVJWDJYZFEYVBGY-QFIPXVFZSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.56
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
N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286989
3-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110426726
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
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
2,2-dimethyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide
CID 110286997
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
3-(4-methylphenyl)-N-[(1R)-1-phenylpropyl]propanamide
CID 92675135
2-(4-methylphenoxy)-N-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 110286775
phenyl N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]carbamate
CID 110287044

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide (CID 110306196) is 3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide is Cc1ccc(CCC(=O)N[C@H](C(=O)N2CCN(C)CC2)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
The InChIKey is VJWDJYZFEYVBGY-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18-8-10-19(11-9-18)12-13-21(27)24-22(20-6-4-3-5-7-20)23(28)26-16-14-25(2)15-17-26/h3-11,22H,12-17H2,1-2H3,(H,24,27)/t22-/m0/s1.
What are the key properties of 3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide?
3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]propanamide is sourced from PubChem (CID 110306196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).