[(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate

C15H18ClNO3 — CID 100619884

IUPAC[(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-10(18)20-9-12-6-7-14(19)17(2)15(12)11-4-3-5-13(16)8-11/h3-5,8,12,15H,6-7,9H2,1-2H3/t12-,15+/m1/s1
InChIKeyVHBWHOSFACVPIV-DOMZBBRYSA-N
MW295.77 g/mol
LogP2.81
Rot. Bonds3

About [(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate

[(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate (PubChem CID 100619884) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is [(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate
PubChem CID100619884
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name[(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C15H18ClNO3/c1-10(18)20-9-12-6-7-14(19)17(2)15(12)11-4-3-5-13(16)8-11/h3-5,8,12,15H,6-7,9H2,1-2H3/t12-,15+/m1/s1
InChIKeyVHBWHOSFACVPIV-DOMZBBRYSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 95358886
(2R,3S)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95242214
1-[2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354141
2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide
CID 155949173
6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one
CID 105475712
N-(2-amino-2-methylpropyl)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119628158
[2-(4-methoxyphenyl)-1-methyl-6-oxopiperidin-3-yl]methyl 3-[(3,4-dichlorophenyl)carbamoylamino]benzoate
CID 155967867
2-(3-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
CID 24846655
cis-(1S,3R)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676976
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-5-(3-chlorophenyl)-1-methylpyrrolidin-2-one
CID 119518846
6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one
CID 75379486
cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679019

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate?
The IUPAC name of [(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate (CID 100619884) is [(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate.
What is the SMILES notation for [(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate?
The canonical SMILES for [(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate is CC(=O)OC[C@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1.
What is the InChIKey of [(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate?
The InChIKey is VHBWHOSFACVPIV-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10(18)20-9-12-6-7-14(19)17(2)15(12)11-4-3-5-13(16)8-11/h3-5,8,12,15H,6-7,9H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of [(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate?
[(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate has a molecular weight of 295.77 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate is sourced from PubChem (CID 100619884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).