(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one

C18H18N2O3 — CID 29028046

IUPAC(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(O)cc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-15-8-6-14(7-9-15)18(23)20-11-10-19-17(22)16(20)12-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2,(H,19,22)/t16-/m0/s1
InChIKeyCXPFHGVXAGXFPQ-INIZCTEOSA-N
MW310.35 g/mol
LogP1.58
Rot. Bonds3

About (3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one

(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one (PubChem CID 29028046) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is (3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
PubChem CID29028046
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccc(O)cc2)[C@H]1Cc1ccccc1
InChIInChI=1S/C18H18N2O3/c21-15-8-6-14(7-9-15)18(23)20-11-10-19-17(22)16(20)12-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2,(H,19,22)/t16-/m0/s1
InChIKeyCXPFHGVXAGXFPQ-INIZCTEOSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one?
The IUPAC name of (3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one (CID 29028046) is (3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one?
The canonical SMILES for (3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one is O=C1NCCN(C(=O)c2ccc(O)cc2)[C@H]1Cc1ccccc1.
What is the InChIKey of (3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one?
The InChIKey is CXPFHGVXAGXFPQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-15-8-6-14(7-9-15)18(23)20-11-10-19-17(22)16(20)12-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2,(H,19,22)/t16-/m0/s1.
What are the key properties of (3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one?
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one has a molecular weight of 310.35 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one is sourced from PubChem (CID 29028046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).