(5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one

C22H25N3O4 — CID 95368650

IUPAC(5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one
SMILESO=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C22H25N3O4/c26-20-9-5-4-8-18(20)23-10-12-24(13-11-23)22(28)19-15-29-16-21(27)25(19)14-17-6-2-1-3-7-17/h1-9,19,26H,10-16H2/t19-/m0/s1
InChIKeyQWAHFBNKBDLEEV-IBGZPJMESA-N
MW395.46 g/mol
LogP1.47
Rot. Bonds4

About (5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one

(5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one (PubChem CID 95368650) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one.

Molecular Properties

Compound Name(5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one
PubChem CID95368650
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one
SMILESO=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C22H25N3O4/c26-20-9-5-4-8-18(20)23-10-12-24(13-11-23)22(28)19-15-29-16-21(27)25(19)14-17-6-2-1-3-7-17/h1-9,19,26H,10-16H2/t19-/m0/s1
InChIKeyQWAHFBNKBDLEEV-IBGZPJMESA-N
XLogP1.47
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one?
The IUPAC name of (5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one (CID 95368650) is (5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one.
What is the SMILES notation for (5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one?
The canonical SMILES for (5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one is O=C([C@@H]1COCC(=O)N1Cc1ccccc1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of (5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one?
The InChIKey is QWAHFBNKBDLEEV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O4/c26-20-9-5-4-8-18(20)23-10-12-24(13-11-23)22(28)19-15-29-16-21(27)25(19)14-17-6-2-1-3-7-17/h1-9,19,26H,10-16H2/t19-/m0/s1.
What are the key properties of (5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one?
(5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one has a molecular weight of 395.46 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-benzyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]morpholin-3-one is sourced from PubChem (CID 95368650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).