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

C21H27N3O4 — CID 134706916

IUPAC(5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C21H27N3O4/c25-17-14-28-20(19(22-17)15-7-3-1-4-8-15)21(27)23-11-12-24(18(26)13-23)16-9-5-2-6-10-16/h1,3-4,7-8,16,19-20H,2,5-6,9-14H2,(H,22,25)/t19-,20+/m1/s1
InChIKeyRVXOXOZLNCVCOW-UXHICEINSA-N
MW385.46 g/mol
LogP1.25
Rot. Bonds3

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

(5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one (PubChem CID 134706916) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is (5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one
PubChem CID134706916
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name(5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C21H27N3O4/c25-17-14-28-20(19(22-17)15-7-3-1-4-8-15)21(27)23-11-12-24(18(26)13-23)16-9-5-2-6-10-16/h1,3-4,7-8,16,19-20H,2,5-6,9-14H2,(H,22,25)/t19-,20+/m1/s1
InChIKeyRVXOXOZLNCVCOW-UXHICEINSA-N
XLogP1.25
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one with MolForge

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Related Compounds

(5R,6S)-6-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134696512
(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-phenyl-6-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)morpholin-3-one
CID 170507374
1-cyclopropyl-4-(2-phenylacetyl)piperazin-2-one
CID 110720747
1-cyclopentyl-4-[2-(pyrrolidin-3-ylmethyl)benzoyl]piperazin-2-one
CID 166612327
3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 131918987

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one?
The IUPAC name of (5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one (CID 134706916) is (5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one?
The canonical SMILES for (5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one is O=C1CO[C@H](C(=O)N2CCN(C3CCCCC3)C(=O)C2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one?
The InChIKey is RVXOXOZLNCVCOW-UXHICEINSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-17-14-28-20(19(22-17)15-7-3-1-4-8-15)21(27)23-11-12-24(18(26)13-23)16-9-5-2-6-10-16/h1,3-4,7-8,16,19-20H,2,5-6,9-14H2,(H,22,25)/t19-,20+/m1/s1.
What are the key properties of (5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one?
(5R,6S)-6-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one has a molecular weight of 385.46 g/mol, XLogP of 1.25, 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-cyclohexyl-3-oxopiperazine-1-carbonyl)-5-phenylmorpholin-3-one is sourced from PubChem (CID 134706916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).