1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one

C20H29N3O2 — CID 96578207

IUPAC1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one
SMILESC[C@H](CCC(=O)N1CCN(c2ccccc2)C(=O)C1)N1CCCCC1
InChIInChI=1S/C20H29N3O2/c1-17(21-12-6-3-7-13-21)10-11-19(24)22-14-15-23(20(25)16-22)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3/t17-/m1/s1
InChIKeyZQZLWTAOSHFQQI-QGZVFWFLSA-N
MW343.47 g/mol
LogP2.52
Rot. Bonds5

About 1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one

1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one (PubChem CID 96578207) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one
PubChem CID96578207
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one
SMILESC[C@H](CCC(=O)N1CCN(c2ccccc2)C(=O)C1)N1CCCCC1
InChIInChI=1S/C20H29N3O2/c1-17(21-12-6-3-7-13-21)10-11-19(24)22-14-15-23(20(25)16-22)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3/t17-/m1/s1
InChIKeyZQZLWTAOSHFQQI-QGZVFWFLSA-N
XLogP2.52
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]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-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one
CID 96578674
1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
CID 96579737
1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one
CID 96573400
1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one
CID 70784599
4-pentanoyl-1-phenyl-1,4-diazepan-2-one
CID 110873832
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
4-[2-(azepan-1-yl)propanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 70776563
4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 96574415
1-phenyl-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one
CID 110873874
1-(3-acetylphenyl)-4-(6-methylheptanoyl)piperazin-2-one
CID 166101289
4-(6-methylheptanoyl)-1-[3-(2-methylpropanoyl)phenyl]piperazin-2-one
CID 168735073

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one?
The IUPAC name of 1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one (CID 96578207) is 1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one.
What is the SMILES notation for 1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one?
The canonical SMILES for 1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one is C[C@H](CCC(=O)N1CCN(c2ccccc2)C(=O)C1)N1CCCCC1.
What is the InChIKey of 1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one?
The InChIKey is ZQZLWTAOSHFQQI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-17(21-12-6-3-7-13-21)10-11-19(24)22-14-15-23(20(25)16-22)18-8-4-2-5-9-18/h2,4-5,8-9,17H,3,6-7,10-16H2,1H3/t17-/m1/s1.
What are the key properties of 1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one?
1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one has a molecular weight of 343.47 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one is sourced from PubChem (CID 96578207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).