N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide

C20H30N2O2 — CID 110351597

IUPACN-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
SMILESCC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-16(2)15-18(20(24)22-13-7-4-8-14-22)21-19(23)12-11-17-9-5-3-6-10-17/h3,5-6,9-10,16,18H,4,7-8,11-15H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyJVEGNJNVYYKJFJ-SFHVURJKSA-N
MW330.47 g/mol
LogP3.16
Rot. Bonds7

About N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide

N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide (PubChem CID 110351597) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
PubChem CID110351597
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
SMILESCC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C20H30N2O2/c1-16(2)15-18(20(24)22-13-7-4-8-14-22)21-19(23)12-11-17-9-5-3-6-10-17/h3,5-6,9-10,16,18H,4,7-8,11-15H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyJVEGNJNVYYKJFJ-SFHVURJKSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358
4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 22574938
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenoxyacetamide
CID 110351364
3-(1,3-dioxoisoindol-2-yl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]propanamide
CID 110351376
3-(3-fluorophenyl)-N-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]propanamide
CID 110625625
3-(2-aminophenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)propanamide
CID 120610126
3-(3-chlorophenyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)propanamide
CID 110625547
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
5-(4-methylphenyl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pentanamide
CID 60611406
2-(4-fluorophenyl)-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]acetamide
CID 110351359

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide (CID 110351597) is N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide is CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide?
The InChIKey is JVEGNJNVYYKJFJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-16(2)15-18(20(24)22-13-7-4-8-14-22)21-19(23)12-11-17-9-5-3-6-10-17/h3,5-6,9-10,16,18H,4,7-8,11-15H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide?
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide has a molecular weight of 330.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 110351597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).