(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide

C16H23N3O2 — CID 9250084

IUPAC(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide
SMILESCC(=O)c1ccccc1NC(=O)[C@H](C)N1CCN(C)CC1
InChIInChI=1S/C16H23N3O2/c1-12(19-10-8-18(3)9-11-19)16(21)17-15-7-5-4-6-14(15)13(2)20/h4-7,12H,8-11H2,1-3H3,(H,17,21)/t12-/m0/s1
InChIKeyAJEQKIHPSDNZEF-LBPRGKRZSA-N
MW289.38 g/mol
LogP1.46
Rot. Bonds4

About (2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide

(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide (PubChem CID 9250084) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide
PubChem CID9250084
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide
SMILESCC(=O)c1ccccc1NC(=O)[C@H](C)N1CCN(C)CC1
InChIInChI=1S/C16H23N3O2/c1-12(19-10-8-18(3)9-11-19)16(21)17-15-7-5-4-6-14(15)13(2)20/h4-7,12H,8-11H2,1-3H3,(H,17,21)/t12-/m0/s1
InChIKeyAJEQKIHPSDNZEF-LBPRGKRZSA-N
XLogP1.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9276896
(2S)-N-(2-acetylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 9249385
N-(2-acetylphenyl)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78818972
(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 8896328
(2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459927
N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide
CID 78829253
N-(2-cyanophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 42912101
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
1-[1-(2-acetylanilino)-1-oxopropan-2-yl]-5-methylpiperidine-3-carboxylic acid
CID 122121543
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
2-(4-acetylpiperazin-1-yl)-N-(2-phenylphenyl)propanamide
CID 18078428
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of (2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide (CID 9250084) is (2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide is CC(=O)c1ccccc1NC(=O)[C@H](C)N1CCN(C)CC1.
What is the InChIKey of (2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is AJEQKIHPSDNZEF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(19-10-8-18(3)9-11-19)16(21)17-15-7-5-4-6-14(15)13(2)20/h4-7,12H,8-11H2,1-3H3,(H,17,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide?
(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 289.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 9250084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).