(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide

C17H24N2O2 — CID 8903614

IUPAC(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@H](C)C2)c1
InChIInChI=1S/C17H24N2O2/c1-12-6-5-9-19(11-12)13(2)17(21)18-16-8-4-7-15(10-16)14(3)20/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,18,21)/t12-,13-/m0/s1
InChIKeyFJNWYMRKGDNDLF-STQMWFEESA-N
MW288.39 g/mol
LogP2.95
Rot. Bonds4

About (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide

(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide (PubChem CID 8903614) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
PubChem CID8903614
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@H](C)C2)c1
InChIInChI=1S/C17H24N2O2/c1-12-6-5-9-19(11-12)13(2)17(21)18-16-8-4-7-15(10-16)14(3)20/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,18,21)/t12-,13-/m0/s1
InChIKeyFJNWYMRKGDNDLF-STQMWFEESA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 43103510
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8900075
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275552
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9275584
(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41157173
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918794

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide (CID 8903614) is (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide is CC(=O)c1cccc(NC(=O)[C@H](C)N2CCC[C@H](C)C2)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The InChIKey is FJNWYMRKGDNDLF-STQMWFEESA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-6-5-9-19(11-12)13(2)17(21)18-16-8-4-7-15(10-16)14(3)20/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3,(H,18,21)/t12-,13-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide has a molecular weight of 288.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 8903614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).