(6S)-1-benzyl-6-propanoylpiperidin-2-one

C15H19NO2 — CID 134835246

IUPAC(6S)-1-benzyl-6-propanoylpiperidin-2-one
SMILESCCC(=O)[C@@H]1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-14(17)13-9-6-10-15(18)16(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1
InChIKeyCWHCWVSHEJNZJK-ZDUSSCGKSA-N
MW245.32 g/mol
LogP2.55
Rot. Bonds4

About (6S)-1-benzyl-6-propanoylpiperidin-2-one

(6S)-1-benzyl-6-propanoylpiperidin-2-one (PubChem CID 134835246) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (6S)-1-benzyl-6-propanoylpiperidin-2-one.

Molecular Properties

Compound Name(6S)-1-benzyl-6-propanoylpiperidin-2-one
PubChem CID134835246
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(6S)-1-benzyl-6-propanoylpiperidin-2-one
SMILESCCC(=O)[C@@H]1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19NO2/c1-2-14(17)13-9-6-10-15(18)16(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1
InChIKeyCWHCWVSHEJNZJK-ZDUSSCGKSA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
1-benzyl-6-methoxypiperidin-2-one
CID 10036374
(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 101333052
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161
benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate
CID 129268188
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049
N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide
CID 66644739
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
1-[(2-methylphenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812158
(3aS,9aR)-4-benzyl-1-(2-methoxyacetyl)-2,3,3a,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-5-one
CID 110136600

Frequently Asked Questions

What is the IUPAC name of (6S)-1-benzyl-6-propanoylpiperidin-2-one?
The IUPAC name of (6S)-1-benzyl-6-propanoylpiperidin-2-one (CID 134835246) is (6S)-1-benzyl-6-propanoylpiperidin-2-one.
What is the SMILES notation for (6S)-1-benzyl-6-propanoylpiperidin-2-one?
The canonical SMILES for (6S)-1-benzyl-6-propanoylpiperidin-2-one is CCC(=O)[C@@H]1CCCC(=O)N1Cc1ccccc1.
What is the InChIKey of (6S)-1-benzyl-6-propanoylpiperidin-2-one?
The InChIKey is CWHCWVSHEJNZJK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-14(17)13-9-6-10-15(18)16(13)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3/t13-/m0/s1.
What are the key properties of (6S)-1-benzyl-6-propanoylpiperidin-2-one?
(6S)-1-benzyl-6-propanoylpiperidin-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-benzyl-6-propanoylpiperidin-2-one is sourced from PubChem (CID 134835246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).