3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

C25H32N4O2 — CID 84927779

IUPAC3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)C3CCCN(C(=O)Nc4ccccc4)C3)CC2)c1
InChIInChI=1S/C25H32N4O2/c1-20-7-5-8-21(17-20)18-27-13-15-28(16-14-27)24(30)22-9-6-12-29(19-22)25(31)26-23-10-3-2-4-11-23/h2-5,7-8,10-11,17,22H,6,9,12-16,18-19H2,1H3,(H,26,31)
InChIKeyARPCYZAOKVUSOT-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.58
Rot. Bonds4

About 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 84927779) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
PubChem CID84927779
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)C3CCCN(C(=O)Nc4ccccc4)C3)CC2)c1
InChIInChI=1S/C25H32N4O2/c1-20-7-5-8-21(17-20)18-27-13-15-28(16-14-27)24(30)22-9-6-12-29(19-22)25(31)26-23-10-3-2-4-11-23/h2-5,7-8,10-11,17,22H,6,9,12-16,18-19H2,1H3,(H,26,31)
InChIKeyARPCYZAOKVUSOT-UHFFFAOYSA-N
XLogP3.58
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
2-(4-fluorophenyl)-1-[3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55740764
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
N-(3-acetamidophenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106879
3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60617850
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] (3R)-1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 95351124
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 119832310
3-(4-cyanopiperidine-1-carbonyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 49061663
3-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid
CID 122028905
3-N-benzyl-3-N-cyclopropyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55820118
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 119410579
N-(3-methylphenyl)-4-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 56877722

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (CID 84927779) is 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is Cc1cccc(CN2CCN(C(=O)C3CCCN(C(=O)Nc4ccccc4)C3)CC2)c1.
What is the InChIKey of 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is ARPCYZAOKVUSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-20-7-5-8-21(17-20)18-27-13-15-28(16-14-27)24(30)22-9-6-12-29(19-22)25(31)26-23-10-3-2-4-11-23/h2-5,7-8,10-11,17,22H,6,9,12-16,18-19H2,1H3,(H,26,31).
What are the key properties of 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 84927779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).