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

C18H23ClN2O4 — CID 134699289

IUPAC(5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one
SMILESCOCC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN2O4/c1-24-10-12-6-8-21(9-7-12)18(23)17-16(20-15(22)11-25-17)13-4-2-3-5-14(13)19/h2-5,12,16-17H,6-11H2,1H3,(H,20,22)/t16-,17+/m1/s1
InChIKeyMQPVKIBLBZBTQV-SJORKVTESA-N
MW366.85 g/mol
LogP1.78
Rot. Bonds4

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

(5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one (PubChem CID 134699289) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is (5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one
PubChem CID134699289
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name(5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one
SMILESCOCC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1
InChIInChI=1S/C18H23ClN2O4/c1-24-10-12-6-8-21(9-7-12)18(23)17-16(20-15(22)11-25-17)13-4-2-3-5-14(13)19/h2-5,12,16-17H,6-11H2,1H3,(H,20,22)/t16-,17+/m1/s1
InChIKeyMQPVKIBLBZBTQV-SJORKVTESA-N
XLogP1.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one
CID 134712566
(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
(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
CID 135096348
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-phenylmethoxyethyl)morpholine-2-carboxamide
CID 157017806
(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134696512

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one?
The IUPAC name of (5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one (CID 134699289) is (5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one.
What is the SMILES notation for (5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one?
The canonical SMILES for (5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one is COCC1CCN(C(=O)[C@H]2OCC(=O)N[C@@H]2c2ccccc2Cl)CC1.
What is the InChIKey of (5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one?
The InChIKey is MQPVKIBLBZBTQV-SJORKVTESA-N. The full InChI is InChI=1S/C18H23ClN2O4/c1-24-10-12-6-8-21(9-7-12)18(23)17-16(20-15(22)11-25-17)13-4-2-3-5-14(13)19/h2-5,12,16-17H,6-11H2,1H3,(H,20,22)/t16-,17+/m1/s1.
What are the key properties of (5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one?
(5R,6S)-5-(2-chlorophenyl)-6-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one has a molecular weight of 366.85 g/mol, XLogP of 1.78, 4 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-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one is sourced from PubChem (CID 134699289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).