2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide

C17H24N2O2 — CID 127187955

IUPAC2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-13(2)17(21)18-15-9-6-10-19(12-15)16(20)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,18,21)
InChIKeyGXGLIYCMFHBPFF-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.99
Rot. Bonds4

About 2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide

2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide (PubChem CID 127187955) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
PubChem CID127187955
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
SMILESCC(C)C(=O)NC1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-13(2)17(21)18-15-9-6-10-19(12-15)16(20)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,18,21)
InChIKeyGXGLIYCMFHBPFF-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
N-[(3S)-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)acetyl]piperidin-3-yl]-2-methylpropanamide
CID 100734340
4-[[1-(2-phenylacetyl)piperidin-3-yl]carbamoylamino]butanoic acid
CID 122013601
2-methyl-N-[(3R)-1-[(2S)-3-methylsulfanyl-2-phenylpropanoyl]piperidin-3-yl]propanamide
CID 97216590
N-[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-2-methylpropanamide
CID 94800761
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
CID 119491030
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone;hydrochloride
CID 119491029
2-chloro-N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 108564353
N-[1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47029348
2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895
N-[1-(3-aminobutanoyl)piperidin-3-yl]-2-methylpropanamide;hydrochloride
CID 119761594
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide (CID 127187955) is 2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide is CC(C)C(=O)NC1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide?
The InChIKey is GXGLIYCMFHBPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)17(21)18-15-9-6-10-19(12-15)16(20)11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-12H2,1-2H3,(H,18,21).
What are the key properties of 2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide?
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide has a molecular weight of 288.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 127187955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).