1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide

C25H32N4O2 — CID 24568541

IUPAC1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cccc(N2CCN(CC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C25H32N4O2/c1-20-6-5-9-23(18-20)28-16-14-27(15-17-28)19-24(30)29-12-10-21(11-13-29)25(31)26-22-7-3-2-4-8-22/h2-9,18,21H,10-17,19H2,1H3,(H,26,31)
InChIKeyMVKZMSTTZLHRES-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.99
Rot. Bonds5

About 1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 24568541) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID24568541
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cccc(N2CCN(CC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2)c1
InChIInChI=1S/C25H32N4O2/c1-20-6-5-9-23(18-20)28-16-14-27(15-17-28)19-24(30)29-12-10-21(11-13-29)25(31)26-22-7-3-2-4-8-22/h2-9,18,21H,10-17,19H2,1H3,(H,26,31)
InChIKeyMVKZMSTTZLHRES-UHFFFAOYSA-N
XLogP2.99
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165
(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 58985189
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
1-[3-[4-(3-methylphenyl)piperazin-1-yl]propanoyl]piperidine-4-carboxylic acid
CID 119349672
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 55533895
1-[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55739312
1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9348757
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide (CID 24568541) is 1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide is Cc1cccc(N2CCN(CC(=O)N3CCC(C(=O)Nc4ccccc4)CC3)CC2)c1.
What is the InChIKey of 1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is MVKZMSTTZLHRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-20-6-5-9-23(18-20)28-16-14-27(15-17-28)19-24(30)29-12-10-21(11-13-29)25(31)26-22-7-3-2-4-8-22/h2-9,18,21H,10-17,19H2,1H3,(H,26,31).
What are the key properties of 1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 24568541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).