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

C22H25N3O3 — CID 134701048

IUPAC(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C22H25N3O3/c26-19-16-28-21(20(23-19)18-9-5-2-6-10-18)22(27)25-13-11-24(12-14-25)15-17-7-3-1-4-8-17/h1-10,20-21H,11-16H2,(H,23,26)/t20-,21+/m1/s1
InChIKeyAHQUEVJLQNZXSO-RTWAWAEBSA-N
MW379.46 g/mol
LogP1.59
Rot. Bonds4

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

(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one (PubChem CID 134701048) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
PubChem CID134701048
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
SMILESO=C1CO[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C22H25N3O3/c26-19-16-28-21(20(23-19)18-9-5-2-6-10-18)22(27)25-13-11-24(12-14-25)15-17-7-3-1-4-8-17/h1-10,20-21H,11-16H2,(H,23,26)/t20-,21+/m1/s1
InChIKeyAHQUEVJLQNZXSO-RTWAWAEBSA-N
XLogP1.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6S)-6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134705602
(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-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 134703018
(5R,6S)-5-(2-chlorophenyl)-6-[4-(cyclopropylmethyl)piperazine-1-carbonyl]morpholin-3-one
CID 134706756
N,N,4-trimethyl-1-[(2S,3R)-5-oxo-3-phenylmorpholine-2-carbonyl]piperidine-4-carboxamide
CID 134698928
(4-benzylpiperazin-1-yl)-(4-cyclopropyl-3-phenylmorpholin-2-yl)methanone
CID 171142040
5-(4-benzylpiperazine-1-carbonyl)thiomorpholin-3-one
CID 110695468
(5R,6R)-6-(4-benzylpiperazine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one
CID 95739747
(5R,6S)-5-(2-chlorophenyl)-6-(1,1-dioxo-1,4-thiazinane-4-carbonyl)morpholin-3-one
CID 134711176
(2S,3R)-N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-3-phenylmorpholine-2-carboxamide
CID 134698422

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one?
The IUPAC name of (5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one (CID 134701048) is (5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one.
What is the SMILES notation for (5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one?
The canonical SMILES for (5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one is O=C1CO[C@H](C(=O)N2CCN(Cc3ccccc3)CC2)[C@@H](c2ccccc2)N1.
What is the InChIKey of (5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one?
The InChIKey is AHQUEVJLQNZXSO-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-19-16-28-21(20(23-19)18-9-5-2-6-10-18)22(27)25-13-11-24(12-14-25)15-17-7-3-1-4-8-17/h1-10,20-21H,11-16H2,(H,23,26)/t20-,21+/m1/s1.
What are the key properties of (5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one?
(5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one has a molecular weight of 379.46 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-(4-benzylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one is sourced from PubChem (CID 134701048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).