4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide

C19H28N2O3 — CID 133121543

IUPAC4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)CCC(=O)N1CC[C@](C)(O)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C19H28N2O3/c1-19(24)11-12-21(18(23)10-9-17(22)20(2)3)14-16(19)13-15-7-5-4-6-8-15/h4-8,16,24H,9-14H2,1-3H3/t16-,19+/m1/s1
InChIKeyVYZKQEJFXFLLIP-APWZRJJASA-N
MW332.44 g/mol
LogP1.70
Rot. Bonds5

About 4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide

4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide (PubChem CID 133121543) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide
PubChem CID133121543
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide
SMILESCN(C)C(=O)CCC(=O)N1CC[C@](C)(O)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C19H28N2O3/c1-19(24)11-12-21(18(23)10-9-17(22)20(2)3)14-16(19)13-15-7-5-4-6-8-15/h4-8,16,24H,9-14H2,1-3H3/t16-,19+/m1/s1
InChIKeyVYZKQEJFXFLLIP-APWZRJJASA-N
XLogP1.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide with MolForge

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Related Compounds

1-[4-(3-Fluorophenyl)-4-hydroxypiperidin-1-yl]butan-1-one
CID 1446465
US11807646, Example 41
CID 139375376
2-(1-hydroxycyclohexyl)-2-phenyl-N,N-dipropylacetamide
CID 236254
Cambridge id 7257348
CID 5177462
6-(4-benzylpiperidine-1-carbonyl)cyclohex-3-ene-1-carboxylic Acid
CID 3598114
(3R,4R)-rel-3-Phenyl-1,4-piperidinedicarboxylic acid 1-(1,1-dimethylethyl) ester
CID 67232025
6-[(4-Cinnamyl-1-piperazinyl)carbonyl]-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
CID 5763789
1-(4-Benzyl piperidin-1-yl)-2-hydroxy-2-methyl propan-1-one
CID 10801401
1-Acetyl-4-{[4-benzylpiperidyl]carbonyl}piperidine
CID 17127007
(3S*,4R*)-3-benzyl-1-glycyl-4-methyl-4-piperidinol
CID 56891887
N-benzyl-3-[(3R*,4R*)-4-cyclobutyl-4-hydroxy-3-methyl-1-piperidinyl]-N-methylpropanamide
CID 72933269
Butyric acid, 4-(4-benzylpiperidin-1-yl)-4-oxo-
CID 756909

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide?
The IUPAC name of 4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide (CID 133121543) is 4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide is CN(C)C(=O)CCC(=O)N1CC[C@](C)(O)[C@H](Cc2ccccc2)C1.
What is the InChIKey of 4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide?
The InChIKey is VYZKQEJFXFLLIP-APWZRJJASA-N. The full InChI is InChI=1S/C19H28N2O3/c1-19(24)11-12-21(18(23)10-9-17(22)20(2)3)14-16(19)13-15-7-5-4-6-8-15/h4-8,16,24H,9-14H2,1-3H3/t16-,19+/m1/s1.
What are the key properties of 4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide?
4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide has a molecular weight of 332.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-N,N-dimethyl-4-oxobutanamide is sourced from PubChem (CID 133121543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).