2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide

C23H29N3O2 — CID 9347790

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N(C)[C@@H](C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18(20-7-5-4-6-8-20)24(3)23(28)17-25-13-15-26(16-14-25)22-11-9-21(10-12-22)19(2)27/h4-12,18H,13-17H2,1-3H3/t18-/m0/s1
InChIKeyNSNYMOLNJSCVHA-SFHVURJKSA-N
MW379.50 g/mol
LogP3.23
Rot. Bonds6

About 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 9347790) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
PubChem CID9347790
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)N(C)[C@@H](C)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c1-18(20-7-5-4-6-8-20)24(3)23(28)17-25-13-15-26(16-14-25)22-11-9-21(10-12-22)19(2)27/h4-12,18H,13-17H2,1-3H3/t18-/m0/s1
InChIKeyNSNYMOLNJSCVHA-SFHVURJKSA-N
XLogP3.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide with MolForge

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Related Compounds

N-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9347535
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9348034
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone
CID 25336879
1-[4-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 74813973
N-methyl-2-oxo-N-(1-phenylethyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 119035022
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
N-methyl-N-[(1S)-1-phenylethyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9347912
N-benzhydryl-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-methylacetamide
CID 51629082
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 115969261
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 3040739
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 8591460

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide (CID 9347790) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide is CC(=O)c1ccc(N2CCN(CC(=O)N(C)[C@@H](C)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is NSNYMOLNJSCVHA-SFHVURJKSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-18(20-7-5-4-6-8-20)24(3)23(28)17-25-13-15-26(16-14-25)22-11-9-21(10-12-22)19(2)27/h4-12,18H,13-17H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide?
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 9347790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).