(2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C15H18NO4- — CID 7188451

IUPAC(2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C15H19NO4/c1-3-16-13(17)9-8-12(15(18)19)14(16)10-4-6-11(20-2)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3,(H,18,19)/p-1/t12-,14-/m1/s1
InChIKeyOOEQVBQHJUONDC-TZMCWYRMSA-M
MW276.31 g/mol
LogP0.74
Rot. Bonds4

About (2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate

(2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 7188451) has the molecular formula C15H18NO4- and a molecular weight of 276.31 g/mol. Its IUPAC name is (2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name(2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID7188451
Molecular FormulaC15H18NO4-
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Name(2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1
InChIInChI=1S/C15H19NO4/c1-3-16-13(17)9-8-12(15(18)19)14(16)10-4-6-11(20-2)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3,(H,18,19)/p-1/t12-,14-/m1/s1
InChIKeyOOEQVBQHJUONDC-TZMCWYRMSA-M
XLogP0.74
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087370
1-ethyl-5-(4-methoxyphenyl)pyrrolidin-2-one
CID 141398583
(2R,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7094966
(2S,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7023522
(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 16762508
(2R,3R)-1-cyclohexyl-2-(4-ethoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 6986931
1,2-bis(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 55345936
N-(4-acetylphenyl)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42886695
(2R,3R)-N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)-1-ethyl-6-oxopiperidine-3-carboxamide;formic acid
CID 171688374
(2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110087251
(5S,6S)-1-butyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(4-methoxyphenyl)piperidin-2-one
CID 51931364
(2S,3S)-2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 26917847

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of (2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 7188451) is (2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for (2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for (2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is CCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1.
What is the InChIKey of (2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is OOEQVBQHJUONDC-TZMCWYRMSA-M. The full InChI is InChI=1S/C15H19NO4/c1-3-16-13(17)9-8-12(15(18)19)14(16)10-4-6-11(20-2)7-5-10/h4-7,12,14H,3,8-9H2,1-2H3,(H,18,19)/p-1/t12-,14-/m1/s1.
What are the key properties of (2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
(2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 276.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-ethyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 7188451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).