N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide

C20H27N3O4 — CID 134698928

IUPACN,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(C)CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C20H27N3O4/c1-20(19(26)22(2)3)9-11-23(12-10-20)18(25)17-16(21-15(24)13-27-17)14-7-5-4-6-8-14/h4-8,16-17H,9-13H2,1-3H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyADTZZVKBMLIOCW-SJORKVTESA-N
MW373.45 g/mol
LogP0.96
Rot. Bonds3

About N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide

N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 134698928) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide
PubChem CID134698928
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1(C)CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C20H27N3O4/c1-20(19(26)22(2)3)9-11-23(12-10-20)18(25)17-16(21-15(24)13-27-17)14-7-5-4-6-8-14/h4-8,16-17H,9-13H2,1-3H3,(H,21,24)/t16-,17+/m1/s1
InChIKeyADTZZVKBMLIOCW-SJORKVTESA-N
XLogP0.96
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
CID 135096348
(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134704890
(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134705602
(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134696512
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
(5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134703018
(2S,3R)-N-methyl-5-oxo-3-phenyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)morpholine-2-carboxamide
CID 134706737
(5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134706916
(5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one
CID 162628924
N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 134702371
(2S,3R)-N-benzyl-N-(cyclopropylmethyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134704571
(2S,3R)-N-[[3-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134713224

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide (CID 134698928) is N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide is CN(C)C(=O)C1(C)CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1.
What is the InChIKey of N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is ADTZZVKBMLIOCW-SJORKVTESA-N. The full InChI is InChI=1S/C20H27N3O4/c1-20(19(26)22(2)3)9-11-23(12-10-20)18(25)17-16(21-15(24)13-27-17)14-7-5-4-6-8-14/h4-8,16-17H,9-13H2,1-3H3,(H,21,24)/t16-,17+/m1/s1.
What are the key properties of N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide?
N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 134698928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).