(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one

C17H22N2O3 — CID 134704890

IUPAC(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one
SMILESCC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C17H22N2O3/c1-12-7-9-19(10-8-12)17(21)16-15(18-14(20)11-22-16)13-5-3-2-4-6-13/h2-6,12,15-16H,7-11H2,1H3,(H,18,20)/t15-,16+/m1/s1
InChIKeyPDBLECIOZBQIPM-CVEARBPZSA-N
MW302.37 g/mol
LogP1.50
Rot. Bonds2

About (5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one

(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one (PubChem CID 134704890) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one
PubChem CID134704890
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one
SMILESCC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C17H22N2O3/c1-12-7-9-19(10-8-12)17(21)16-15(18-14(20)11-22-16)13-5-3-2-4-6-13/h2-6,12,15-16H,7-11H2,1H3,(H,18,20)/t15-,16+/m1/s1
InChIKeyPDBLECIOZBQIPM-CVEARBPZSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
CID 135096348
(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134696512
(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134705602
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide
CID 134698928
(5R,6S)-6-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134703018
(5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134706916
(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134698422
N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 134702371
4-(4-methylpiperidine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
CID 110689071
(5R,6S)-5-phenyl-6-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)morpholin-3-one
CID 162628924
(5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one
CID 134699289

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one?
The IUPAC name of (5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one (CID 134704890) is (5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one?
The canonical SMILES for (5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one is CC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2)CC1.
What is the InChIKey of (5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one?
The InChIKey is PDBLECIOZBQIPM-CVEARBPZSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-7-9-19(10-8-12)17(21)16-15(18-14(20)11-22-16)13-5-3-2-4-6-13/h2-6,12,15-16H,7-11H2,1H3,(H,18,20)/t15-,16+/m1/s1.
What are the key properties of (5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one?
(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one has a molecular weight of 302.37 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one is sourced from PubChem (CID 134704890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).