N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide

C16H22N2O2 — CID 62210606

IUPACN-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CCC2CCCCN2)c1
InChIInChI=1S/C16H22N2O2/c1-12(19)13-5-4-7-15(11-13)18-16(20)9-8-14-6-2-3-10-17-14/h4-5,7,11,14,17H,2-3,6,8-10H2,1H3,(H,18,20)
InChIKeyKKYVGOLKCVZCNN-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.75
Rot. Bonds5

About N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide

N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide (PubChem CID 62210606) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
PubChem CID62210606
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CCC2CCCCN2)c1
InChIInChI=1S/C16H22N2O2/c1-12(19)13-5-4-7-15(11-13)18-16(20)9-8-14-6-2-3-10-17-14/h4-5,7,11,14,17H,2-3,6,8-10H2,1H3,(H,18,20)
InChIKeyKKYVGOLKCVZCNN-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
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N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
CID 107679893
N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
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N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide
CID 107599604
3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide
CID 62813870
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
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3-[acetyl(cycloheptyl)amino]-N-(3-acetylphenyl)propanamide
CID 113122753
N-(3-bromophenyl)-2-(2-piperidin-2-ylethoxy)acetamide
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N'-(3-acetylphenyl)-N-cyclopentylpropanediamide
CID 108942255

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide (CID 62210606) is N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide is CC(=O)c1cccc(NC(=O)CCC2CCCCN2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide?
The InChIKey is KKYVGOLKCVZCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(19)13-5-4-7-15(11-13)18-16(20)9-8-14-6-2-3-10-17-14/h4-5,7,11,14,17H,2-3,6,8-10H2,1H3,(H,18,20).
What are the key properties of N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide?
N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 62210606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).