(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate

C17H22NO4- — CID 7130706

IUPAC(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccccc1OC
InChIInChI=1S/C17H23NO4/c1-3-4-11-18-15(19)10-9-13(17(20)21)16(18)12-7-5-6-8-14(12)22-2/h5-8,13,16H,3-4,9-11H2,1-2H3,(H,20,21)/p-1/t13-,16+/m0/s1
InChIKeyFZWVAHBTTMGQTE-XJKSGUPXSA-M
MW304.37 g/mol
LogP1.52
Rot. Bonds6

About (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate

(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate (PubChem CID 7130706) has the molecular formula C17H22NO4- and a molecular weight of 304.37 g/mol. Its IUPAC name is (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Name(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
PubChem CID7130706
Molecular FormulaC17H22NO4-
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Name(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
SMILESCCCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccccc1OC
InChIInChI=1S/C17H23NO4/c1-3-4-11-18-15(19)10-9-13(17(20)21)16(18)12-7-5-6-8-14(12)22-2/h5-8,13,16H,3-4,9-11H2,1-2H3,(H,20,21)/p-1/t13-,16+/m0/s1
InChIKeyFZWVAHBTTMGQTE-XJKSGUPXSA-M
XLogP1.52
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
(2R,3R)-1-butyl-N-cyclopropyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 41045510
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404
(2S,3R)-1-butyl-2-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 9255593
1-butyl-N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 46521607
3-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118772
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774
1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24641087
1-butyl-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 86796081
1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one
CID 55567142
5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
CID 82193413
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 94144287

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The IUPAC name of (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate (CID 7130706) is (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate.
What is the SMILES notation for (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The canonical SMILES for (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate is CCCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccccc1OC.
What is the InChIKey of (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
The InChIKey is FZWVAHBTTMGQTE-XJKSGUPXSA-M. The full InChI is InChI=1S/C17H23NO4/c1-3-4-11-18-15(19)10-9-13(17(20)21)16(18)12-7-5-6-8-14(12)22-2/h5-8,13,16H,3-4,9-11H2,1-2H3,(H,20,21)/p-1/t13-,16+/m0/s1.
What are the key properties of (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate?
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate is sourced from PubChem (CID 7130706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).