N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide

C17H24N2O2 — CID 4825469

IUPACN-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)N2CCCC(C)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-12-5-4-10-19(11-12)13(2)17(21)18-16-8-6-15(7-9-16)14(3)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyKYLSLCBHYHRWSX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.95
Rot. Bonds4

About N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide

N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide (PubChem CID 4825469) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
PubChem CID4825469
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)N2CCCC(C)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-12-5-4-10-19(11-12)13(2)17(21)18-16-8-6-15(7-9-16)14(3)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,21)
InChIKeyKYLSLCBHYHRWSX-UHFFFAOYSA-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

(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 17411208
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41157173
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275461
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275552
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9275584
N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 43103510
4-[2-[3-(methylamino)piperidin-1-yl]propanoylamino]benzamide
CID 119920088
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
N-(4-acetylphenyl)-2-[4-[benzyl(methyl)amino]azepan-1-yl]propanamide
CID 71844271

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide (CID 4825469) is N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide is CC(=O)c1ccc(NC(=O)C(C)N2CCCC(C)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is KYLSLCBHYHRWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-5-4-10-19(11-12)13(2)17(21)18-16-8-6-15(7-9-16)14(3)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide?
N-(4-acetylphenyl)-2-(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 N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 4825469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).