1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide

C24H37N3O2 — CID 42693604

IUPAC1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(N2CCC(C(=O)NCCC(C)C)CC2)CC1
InChIInChI=1S/C24H37N3O2/c1-18(2)8-13-25-23(28)20-9-14-26(15-10-20)21-11-16-27(17-12-21)24(29)22-7-5-4-6-19(22)3/h4-7,18,20-21H,8-17H2,1-3H3,(H,25,28)
InChIKeyPPHAVYHNPYRVFF-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.47
Rot. Bonds6

About 1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide

1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide (PubChem CID 42693604) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
PubChem CID42693604
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(N2CCC(C(=O)NCCC(C)C)CC2)CC1
InChIInChI=1S/C24H37N3O2/c1-18(2)8-13-25-23(28)20-9-14-26(15-10-20)21-11-16-27(17-12-21)24(29)22-7-5-4-6-19(22)3/h4-7,18,20-21H,8-17H2,1-3H3,(H,25,28)
InChIKeyPPHAVYHNPYRVFF-UHFFFAOYSA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide 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-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881485
N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005543
N-(3-methylbutyl)-1-[2-[[2-(2-methylpropyl)benzoyl]amino]benzoyl]piperidine-4-carboxamide
CID 166782044
(2-methylphenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 70253538
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881490
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881491
1-(2-methylbenzoyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 135093383
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42114058
N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2920836
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42210941
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide (CID 42693604) is 1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(N2CCC(C(=O)NCCC(C)C)CC2)CC1.
What is the InChIKey of 1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
The InChIKey is PPHAVYHNPYRVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-18(2)8-13-25-23(28)20-9-14-26(15-10-20)21-11-16-27(17-12-21)24(29)22-7-5-4-6-19(22)3/h4-7,18,20-21H,8-17H2,1-3H3,(H,25,28).
What are the key properties of 1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide?
1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylbenzoyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 42693604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).