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

C19H24ClN3O3 — CID 134706756

IUPAC(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2CCN(CC3CC3)CC2)[C@@H](c2ccccc2Cl)N1
InChIInChI=1S/C19H24ClN3O3/c20-15-4-2-1-3-14(15)17-18(26-12-16(24)21-17)19(25)23-9-7-22(8-10-23)11-13-5-6-13/h1-4,13,17-18H,5-12H2,(H,21,24)/t17-,18+/m1/s1
InChIKeyOCPPLOJGWUAJRN-MSOLQXFVSA-N
MW377.87 g/mol
LogP1.45
Rot. Bonds4

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

(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one (PubChem CID 134706756) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is (5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one
PubChem CID134706756
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2CCN(CC3CC3)CC2)[C@@H](c2ccccc2Cl)N1
InChIInChI=1S/C19H24ClN3O3/c20-15-4-2-1-3-14(15)17-18(26-12-16(24)21-17)19(25)23-9-7-22(8-10-23)11-13-5-6-13/h1-4,13,17-18H,5-12H2,(H,21,24)/t17-,18+/m1/s1
InChIKeyOCPPLOJGWUAJRN-MSOLQXFVSA-N
XLogP1.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[4-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-one
CID 134699289
(5R,6S)-5-(2-chlorophenyl)-6-(3-hydroxyazetidine-1-carbonyl)morpholin-3-one
CID 134699286
(5R,6S)-5-(2-chlorophenyl)-6-[4-(2-methoxyethyl)piperidine-1-carbonyl]morpholin-3-one
CID 134712566
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
(2S,3R)-3-(2-chlorophenyl)-5-oxo-N-(2-oxo-2-piperazin-1-ylethyl)morpholine-2-carboxamide;hydrochloride
CID 154913644
(2S,3R)-3-(2-chlorophenyl)-N,N-bis(2-hydroxyethyl)-5-oxomorpholine-2-carboxamide
CID 134701550
(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134696512
(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
(5R,6S)-5-phenyl-6-(piperazine-1-carbonyl)morpholin-3-one
CID 135096348
(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134705602
(2S,3R)-3-(2-chlorophenyl)-N-(cyclohexylmethyl)-N-ethyl-5-oxomorpholine-2-carboxamide
CID 134712547

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one?
The IUPAC name of (5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one (CID 134706756) is (5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one.
What is the SMILES notation for (5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one?
The canonical SMILES for (5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one is O=C1CO[C@H](C(=O)N2CCN(CC3CC3)CC2)[C@@H](c2ccccc2Cl)N1.
What is the InChIKey of (5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one?
The InChIKey is OCPPLOJGWUAJRN-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c20-15-4-2-1-3-14(15)17-18(26-12-16(24)21-17)19(25)23-9-7-22(8-10-23)11-13-5-6-13/h1-4,13,17-18H,5-12H2,(H,21,24)/t17-,18+/m1/s1.
What are the key properties of (5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one?
(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one has a molecular weight of 377.87 g/mol, XLogP of 1.45, 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-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one is sourced from PubChem (CID 134706756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).