(3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one

C20H31N3O2 — CID 77093362

IUPAC(3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one
SMILESCC(C)(CN1CCOCC1)CN1CCNC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H31N3O2/c1-20(2,15-22-10-12-25-13-11-22)16-23-9-8-21-19(24)18(23)14-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyHKWBNUYQCTZRPB-SFHVURJKSA-N
MW345.49 g/mol
LogP1.39
Rot. Bonds6

About (3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one

(3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one (PubChem CID 77093362) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one
PubChem CID77093362
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one
SMILESCC(C)(CN1CCOCC1)CN1CCNC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H31N3O2/c1-20(2,15-22-10-12-25-13-11-22)16-23-9-8-21-19(24)18(23)14-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyHKWBNUYQCTZRPB-SFHVURJKSA-N
XLogP1.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one?
The IUPAC name of (3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one (CID 77093362) is (3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one?
The canonical SMILES for (3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one is CC(C)(CN1CCOCC1)CN1CCNC(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one?
The InChIKey is HKWBNUYQCTZRPB-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-20(2,15-22-10-12-25-13-11-22)16-23-9-8-21-19(24)18(23)14-17-6-4-3-5-7-17/h3-7,18H,8-16H2,1-2H3,(H,21,24)/t18-/m0/s1.
What are the key properties of (3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one?
(3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one has a molecular weight of 345.49 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-4-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperazin-2-one is sourced from PubChem (CID 77093362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).