(2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide

C17H23N3O3 — CID 120924428

IUPAC(2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C17H23N3O3/c1-12-16(18-8-10-23-12)17(22)19-13-5-4-6-14(11-13)20-9-3-2-7-15(20)21/h4-6,11-12,16,18H,2-3,7-10H2,1H3,(H,19,22)/t12-,16+/m1/s1
InChIKeyWLYUJLJXLJSRSV-WBMJQRKESA-N
MW317.39 g/mol
LogP1.52
Rot. Bonds3

About (2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide (PubChem CID 120924428) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide
PubChem CID120924428
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C17H23N3O3/c1-12-16(18-8-10-23-12)17(22)19-13-5-4-6-14(11-13)20-9-3-2-7-15(20)21/h4-6,11-12,16,18H,2-3,7-10H2,1H3,(H,19,22)/t12-,16+/m1/s1
InChIKeyWLYUJLJXLJSRSV-WBMJQRKESA-N
XLogP1.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-2-carboxamide
CID 119724536
(2R,3S)-N-[3-(4-carbamoylpiperidin-1-yl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120942257
N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 119289998
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273024
(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide
CID 120934367
(2R,3S)-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide
CID 120922893
(2R,3S)-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]morpholine-3-carboxamide
CID 120928654
(2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide
CID 120941563
(2R,3S)-2-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]morpholine-3-carboxamide
CID 120939995
(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide (CID 120924428) is (2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of (2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide?
The InChIKey is WLYUJLJXLJSRSV-WBMJQRKESA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-16(18-8-10-23-12)17(22)19-13-5-4-6-14(11-13)20-9-3-2-7-15(20)21/h4-6,11-12,16,18H,2-3,7-10H2,1H3,(H,19,22)/t12-,16+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 120924428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).