(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one

C16H14FN3O2 — CID 97014985

IUPAC(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccncc2F)[C@@H]1c1ccccc1
InChIInChI=1S/C16H14FN3O2/c17-13-10-18-7-6-12(13)16(22)20-9-8-19-15(21)14(20)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,19,21)/t14-/m1/s1
InChIKeyRJQHRIAWAZKIKW-CQSZACIVSA-N
MW299.31 g/mol
LogP1.53
Rot. Bonds2

About (3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one

(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one (PubChem CID 97014985) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is (3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one
PubChem CID97014985
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one
SMILESO=C1NCCN(C(=O)c2ccncc2F)[C@@H]1c1ccccc1
InChIInChI=1S/C16H14FN3O2/c17-13-10-18-7-6-12(13)16(22)20-9-8-19-15(21)14(20)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,19,21)/t14-/m1/s1
InChIKeyRJQHRIAWAZKIKW-CQSZACIVSA-N
XLogP1.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one?
The IUPAC name of (3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one (CID 97014985) is (3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one.
What is the SMILES notation for (3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one?
The canonical SMILES for (3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one is O=C1NCCN(C(=O)c2ccncc2F)[C@@H]1c1ccccc1.
What is the InChIKey of (3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one?
The InChIKey is RJQHRIAWAZKIKW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-13-10-18-7-6-12(13)16(22)20-9-8-19-15(21)14(20)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,19,21)/t14-/m1/s1.
What are the key properties of (3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one?
(3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one has a molecular weight of 299.31 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3-fluoropyridine-4-carbonyl)-3-phenylpiperazin-2-one is sourced from PubChem (CID 97014985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).