4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide

C24H30N4O2 — CID 4881805

IUPAC4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H30N4O2/c29-23(27-17-15-26(16-18-27)19-20-7-3-1-4-8-20)21-11-13-28(14-12-21)24(30)25-22-9-5-2-6-10-22/h1-10,21H,11-19H2,(H,25,30)
InChIKeyMLUMABGJSSXQSD-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.27
Rot. Bonds4

About 4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide

4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide (PubChem CID 4881805) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
PubChem CID4881805
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C24H30N4O2/c29-23(27-17-15-26(16-18-27)19-20-7-3-1-4-8-20)21-11-13-28(14-12-21)24(30)25-22-9-5-2-6-10-22/h1-10,21H,11-19H2,(H,25,30)
InChIKeyMLUMABGJSSXQSD-UHFFFAOYSA-N
XLogP3.27
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide (CID 4881805) is 4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is MLUMABGJSSXQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c29-23(27-17-15-26(16-18-27)19-20-7-3-1-4-8-20)21-11-13-28(14-12-21)24(30)25-22-9-5-2-6-10-22/h1-10,21H,11-19H2,(H,25,30).
What are the key properties of 4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide?
4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazine-1-carbonyl)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 4881805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).