3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one

C19H23N3O — CID 171550384

IUPAC3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one
SMILESO=C1C(CCCCc2ccccc2)NCCN1c1ccccn1
InChIInChI=1S/C19H23N3O/c23-19-17(11-5-4-10-16-8-2-1-3-9-16)20-14-15-22(19)18-12-6-7-13-21-18/h1-3,6-9,12-13,17,20H,4-5,10-11,14-15H2
InChIKeyRTEMTQVTQXNSCT-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.80
Rot. Bonds6

About 3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one

3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one (PubChem CID 171550384) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one.

Molecular Properties

Compound Name3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one
PubChem CID171550384
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one
SMILESO=C1C(CCCCc2ccccc2)NCCN1c1ccccn1
InChIInChI=1S/C19H23N3O/c23-19-17(11-5-4-10-16-8-2-1-3-9-16)20-14-15-22(19)18-12-6-7-13-21-18/h1-3,6-9,12-13,17,20H,4-5,10-11,14-15H2
InChIKeyRTEMTQVTQXNSCT-UHFFFAOYSA-N
XLogP2.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one
CID 141062429
3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one
CID 115102065
2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine
CID 133377119
(3S)-3-bromo-1-pyridin-2-ylpyrrolidin-2-one
CID 70147922
(3S)-3-(4-phenylbutyl)piperazine-2,5-dione
CID 69365417
3-(1H-pyrazol-4-yl)-1-pyridin-2-ylpyrrolidin-2-one
CID 67303473
N-(2-phenylethyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43675384
(3S)-1-benzyl-3-[3-[3-fluoro-5-[(3-methoxyphenyl)methoxy]phenyl]propyl]piperazin-2-one
CID 70821347
3-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 18720114
4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823
1-(2-phenylethyl)-3-pyridin-2-ylpiperidin-2-one
CID 141063687
1-(2-phenylethyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621427

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one?
The IUPAC name of 3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one (CID 171550384) is 3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one.
What is the SMILES notation for 3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one?
The canonical SMILES for 3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one is O=C1C(CCCCc2ccccc2)NCCN1c1ccccn1.
What is the InChIKey of 3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one?
The InChIKey is RTEMTQVTQXNSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19-17(11-5-4-10-16-8-2-1-3-9-16)20-14-15-22(19)18-12-6-7-13-21-18/h1-3,6-9,12-13,17,20H,4-5,10-11,14-15H2.
What are the key properties of 3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one?
3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one has a molecular weight of 309.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylbutyl)-1-pyridin-2-ylpiperazin-2-one is sourced from PubChem (CID 171550384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).