(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide

C20H28N2O4 — CID 25280204

IUPAC(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CCN2C[C@H](C(=O)NC3CCOCC3)CCC2=O)cc1
InChIInChI=1S/C20H28N2O4/c1-25-18-5-2-15(3-6-18)8-11-22-14-16(4-7-19(22)23)20(24)21-17-9-12-26-13-10-17/h2-3,5-6,16-17H,4,7-14H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyHFNSHBUUXHEEJX-MRXNPFEDSA-N
MW360.45 g/mol
LogP1.77
Rot. Bonds6

About (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide

(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide (PubChem CID 25280204) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
PubChem CID25280204
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
SMILESCOc1ccc(CCN2C[C@H](C(=O)NC3CCOCC3)CCC2=O)cc1
InChIInChI=1S/C20H28N2O4/c1-25-18-5-2-15(3-6-18)8-11-22-14-16(4-7-19(22)23)20(24)21-17-9-12-26-13-10-17/h2-3,5-6,16-17H,4,7-14H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyHFNSHBUUXHEEJX-MRXNPFEDSA-N
XLogP1.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]oxane-4-carboxamide
CID 25282898
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 25371985
(3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97149069
N-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 72920179
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3-carboxamide
CID 25384262
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97151949
(5S)-5-(4-acetylpiperazine-1-carbonyl)-1-[2-(4-methoxyphenyl)ethyl]piperidin-2-one
CID 26334745
(3R)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 25385779
N-(1H-imidazol-2-ylmethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 72921861
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24790291
(4R,8R)-8-[(4-methoxyphenyl)methylamino]-1-methyl-N-(oxan-4-yl)-2-oxoazonane-4-carboxamide
CID 75411880
ethyl 2-[1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]cyclohexyl]acetate
CID 25367155

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide (CID 25280204) is (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide is COc1ccc(CCN2C[C@H](C(=O)NC3CCOCC3)CCC2=O)cc1.
What is the InChIKey of (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide?
The InChIKey is HFNSHBUUXHEEJX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-18-5-2-15(3-6-18)8-11-22-14-16(4-7-19(22)23)20(24)21-17-9-12-26-13-10-17/h2-3,5-6,16-17H,4,7-14H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide?
(3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-methoxyphenyl)ethyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 25280204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).