(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one

C20H25N3O4 — CID 134696512

IUPAC(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2CCN(C(=O)C3CCC3)CC2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C20H25N3O4/c24-16-13-27-18(17(21-16)14-5-2-1-3-6-14)20(26)23-11-9-22(10-12-23)19(25)15-7-4-8-15/h1-3,5-6,15,17-18H,4,7-13H2,(H,21,24)/t17-,18+/m1/s1
InChIKeyITWBUOIEKYAOOM-MSOLQXFVSA-N
MW371.44 g/mol
LogP0.71
Rot. Bonds3

About (5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one

(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one (PubChem CID 134696512) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one
PubChem CID134696512
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2CCN(C(=O)C3CCC3)CC2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C20H25N3O4/c24-16-13-27-18(17(21-16)14-5-2-1-3-6-14)20(26)23-11-9-22(10-12-23)19(25)15-7-4-8-15/h1-3,5-6,15,17-18H,4,7-13H2,(H,21,24)/t17-,18+/m1/s1
InChIKeyITWBUOIEKYAOOM-MSOLQXFVSA-N
XLogP0.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.71
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-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 134701048
(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134705602
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)-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-(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
N-[1-[(2S,3R)-5-oxo-3-pyridin-3-ylmorpholine-2-carbonyl]piperidin-4-yl]methanesulfonamide
CID 134702371
(5R,6S)-5-phenyl-6-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)morpholin-3-one
CID 170507374

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one?
The IUPAC name of (5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one (CID 134696512) is (5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one?
The canonical SMILES for (5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one is O=C1CO[C@H](C(=O)N2CCN(C(=O)C3CCC3)CC2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one?
The InChIKey is ITWBUOIEKYAOOM-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H25N3O4/c24-16-13-27-18(17(21-16)14-5-2-1-3-6-14)20(26)23-11-9-22(10-12-23)19(25)15-7-4-8-15/h1-3,5-6,15,17-18H,4,7-13H2,(H,21,24)/t17-,18+/m1/s1.
What are the key properties of (5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one?
(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one has a molecular weight of 371.44 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one is sourced from PubChem (CID 134696512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).