(5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one

C19H25ClN2O4 — CID 134712566

IUPAC(5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one
SMILESCOCCC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1
InChIInChI=1S/C19H25ClN2O4/c1-25-11-8-13-6-9-22(10-7-13)19(24)18-17(21-16(23)12-26-18)14-4-2-3-5-15(14)20/h2-5,13,17-18H,6-12H2,1H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyOPCRYUSKEIPXDE-MSOLQXFVSA-N
MW380.87 g/mol
LogP2.17
Rot. Bonds5

About (5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one

(5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one (PubChem CID 134712566) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is (5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one
PubChem CID134712566
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name(5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one
SMILESCOCCC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1
InChIInChI=1S/C19H25ClN2O4/c1-25-11-8-13-6-9-22(10-7-13)19(24)18-17(21-16(23)12-26-18)14-4-2-3-5-15(14)20/h2-5,13,17-18H,6-12H2,1H3,(H,21,23)/t17-,18+/m1/s1
InChIKeyOPCRYUSKEIPXDE-MSOLQXFVSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one
CID 134699289
(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one
CID 134706756
(5R,6S)-5-(2-chlorophenyl)-6-(1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-3-one
CID 134711176
(5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one
CID 134699286
(5R,6S)-6-(4-methylpiperidine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134704890
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride
CID 154913644
(5R,6S)-5-(2-chlorophenyl)-6-(2-cyclobutyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)morpholin-3-one
CID 170508325
(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide
CID 134701550
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide
CID 157017806
(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
CID 135096348
(2S,3R)-3-(2-chlorophenyl)-N-[2-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 134696941
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one?
The IUPAC name of (5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one (CID 134712566) is (5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one.
What is the SMILES notation for (5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one?
The canonical SMILES for (5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one is COCCC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1.
What is the InChIKey of (5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one?
The InChIKey is OPCRYUSKEIPXDE-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c1-25-11-8-13-6-9-22(10-7-13)19(24)18-17(21-16(23)12-26-18)14-4-2-3-5-15(14)20/h2-5,13,17-18H,6-12H2,1H3,(H,21,23)/t17-,18+/m1/s1.
What are the key properties of (5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one?
(5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one has a molecular weight of 380.87 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one is sourced from PubChem (CID 134712566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).