[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone

C24H29N3O2 — CID 109048199

IUPAC[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C1
InChIInChI=1S/C24H29N3O2/c1-19-6-5-13-27(18-19)24(29)21-11-9-20(10-12-21)23(28)26-16-14-25(15-17-26)22-7-3-2-4-8-22/h2-4,7-12,19H,5-6,13-18H2,1H3
InChIKeyJTFQFHMXKPRMRV-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.52
Rot. Bonds3

About [4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone

[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109048199) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is [4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109048199
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C1
InChIInChI=1S/C24H29N3O2/c1-19-6-5-13-27(18-19)24(29)21-11-9-20(10-12-21)23(28)26-16-14-25(15-17-26)22-7-3-2-4-8-22/h2-4,7-12,19H,5-6,13-18H2,1H3
InChIKeyJTFQFHMXKPRMRV-UHFFFAOYSA-N
XLogP3.52
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone 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-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-methylphenyl)-[(3S)-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]piperidin-1-yl]methanone
CID 92872433
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109047024
(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
CID 1137062
N'-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961354
3-methyl-N'-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
CID 111092132
[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 8713585
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 109048199) is [4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C1.
What is the InChIKey of [4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is JTFQFHMXKPRMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-19-6-5-13-27(18-19)24(29)21-11-9-20(10-12-21)23(28)26-16-14-25(15-17-26)22-7-3-2-4-8-22/h2-4,7-12,19H,5-6,13-18H2,1H3.
What are the key properties of [4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone?
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 391.51 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109048199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).