N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide

C19H28N2O3 — CID 110349075

IUPACN-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide
SMILESCC(C)[C@H](NC(=O)CCOc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-15(2)18(19(23)21-12-7-4-8-13-21)20-17(22)11-14-24-16-9-5-3-6-10-16/h3,5-6,9-10,15,18H,4,7-8,11-14H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyDEMVJJPOXKNDSX-SFHVURJKSA-N
MW332.44 g/mol
LogP2.61
Rot. Bonds7

About N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide

N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide (PubChem CID 110349075) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide
PubChem CID110349075
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide
SMILESCC(C)[C@H](NC(=O)CCOc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-15(2)18(19(23)21-12-7-4-8-13-21)20-17(22)11-14-24-16-9-5-3-6-10-16/h3,5-6,9-10,15,18H,4,7-8,11-14H2,1-2H3,(H,20,22)/t18-/m0/s1
InChIKeyDEMVJJPOXKNDSX-SFHVURJKSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 45286233
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]butanamide
CID 110349052
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid
CID 119167769
2-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]acetamide
CID 110349084
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenoxyacetamide
CID 110351364
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119166665
(2S)-2-[3-(4-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136509
4-phenoxy-N-(piperidine-1-carbothioyl)butanamide
CID 19188329
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide (CID 110349075) is N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide is CC(C)[C@H](NC(=O)CCOc1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide?
The InChIKey is DEMVJJPOXKNDSX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(2)18(19(23)21-12-7-4-8-13-21)20-17(22)11-14-24-16-9-5-3-6-10-16/h3,5-6,9-10,15,18H,4,7-8,11-14H2,1-2H3,(H,20,22)/t18-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide?
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide has a molecular weight of 332.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide is sourced from PubChem (CID 110349075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).