(3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one

C18H27NO2 — CID 102520464

IUPAC(3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one
SMILESCCC(CC)[C@H]1C(=O)N(Cc2ccccc2)CC[C@@]1(C)O
InChIInChI=1S/C18H27NO2/c1-4-15(5-2)16-17(20)19(12-11-18(16,3)21)13-14-9-7-6-8-10-14/h6-10,15-16,21H,4-5,11-13H2,1-3H3/t16-,18+/m0/s1
InChIKeyFZDCJDNSEKTXHU-FUHWJXTLSA-N
MW289.42 g/mol
LogP3.22
Rot. Bonds5

About (3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one

(3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one (PubChem CID 102520464) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one
PubChem CID102520464
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one
SMILESCCC(CC)[C@H]1C(=O)N(Cc2ccccc2)CC[C@@]1(C)O
InChIInChI=1S/C18H27NO2/c1-4-15(5-2)16-17(20)19(12-11-18(16,3)21)13-14-9-7-6-8-10-14/h6-10,15-16,21H,4-5,11-13H2,1-3H3/t16-,18+/m0/s1
InChIKeyFZDCJDNSEKTXHU-FUHWJXTLSA-N
XLogP3.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
CID 98042329
1-benzyl-3,3-dimethyl-4-methylidenepyrrolidin-2-one
CID 11806087
2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one
CID 126703053
(3S)-1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylic acid
CID 118570434
1-benzyl-3-ethylpiperidin-2-one
CID 13440525
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306
ethyl 1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 123926319
1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one
CID 166943014
(4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one
CID 102522516
(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
CID 69059860
(3R,4S)-1-benzyl-4-hydroxy-3,5,5-trimethylpiperidin-2-one
CID 102330721
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one?
The IUPAC name of (3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one (CID 102520464) is (3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one.
What is the SMILES notation for (3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one?
The canonical SMILES for (3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one is CCC(CC)[C@H]1C(=O)N(Cc2ccccc2)CC[C@@]1(C)O.
What is the InChIKey of (3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one?
The InChIKey is FZDCJDNSEKTXHU-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-15(5-2)16-17(20)19(12-11-18(16,3)21)13-14-9-7-6-8-10-14/h6-10,15-16,21H,4-5,11-13H2,1-3H3/t16-,18+/m0/s1.
What are the key properties of (3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one?
(3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one has a molecular weight of 289.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-hydroxy-4-methyl-3-pentan-3-ylpiperidin-2-one is sourced from PubChem (CID 102520464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).