3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one

C19H27N3O2 — CID 119760181

IUPAC3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one
SMILESCC(CC(=O)N1CCNC(=O)C1c1ccccc1)C1CCCNC1
InChIInChI=1S/C19H27N3O2/c1-14(16-8-5-9-20-13-16)12-17(23)22-11-10-21-19(24)18(22)15-6-3-2-4-7-15/h2-4,6-7,14,16,18,20H,5,8-13H2,1H3,(H,21,24)
InChIKeyODBSNABCMXHWPJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.71
Rot. Bonds4

About 3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one

3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one (PubChem CID 119760181) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one
PubChem CID119760181
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one
SMILESCC(CC(=O)N1CCNC(=O)C1c1ccccc1)C1CCCNC1
InChIInChI=1S/C19H27N3O2/c1-14(16-8-5-9-20-13-16)12-17(23)22-11-10-21-19(24)18(22)15-6-3-2-4-7-15/h2-4,6-7,14,16,18,20H,5,8-13H2,1H3,(H,21,24)
InChIKeyODBSNABCMXHWPJ-UHFFFAOYSA-N
XLogP1.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-phenylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119703775
1-(4-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119671894
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119859394
1-(4-benzylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671893
1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119808004
3-piperidin-3-yl-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 81047905
4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid
CID 115867435
1-(4-benzyl-1,4-diazepan-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119399409
2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid
CID 81043675
1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119754539
1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119758347
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one?
The IUPAC name of 3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one (CID 119760181) is 3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one.
What is the SMILES notation for 3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one?
The canonical SMILES for 3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one is CC(CC(=O)N1CCNC(=O)C1c1ccccc1)C1CCCNC1.
What is the InChIKey of 3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one?
The InChIKey is ODBSNABCMXHWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(16-8-5-9-20-13-16)12-17(23)22-11-10-21-19(24)18(22)15-6-3-2-4-7-15/h2-4,6-7,14,16,18,20H,5,8-13H2,1H3,(H,21,24).
What are the key properties of 3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one?
3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one is sourced from PubChem (CID 119760181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).