2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide

C24H37N3O2 — CID 92866855

IUPAC2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide
SMILESCc1ccc(C(=O)N2CCC(CC(=O)NCCCN3CCCC[C@H]3C)CC2)cc1
InChIInChI=1S/C24H37N3O2/c1-19-7-9-22(10-8-19)24(29)27-16-11-21(12-17-27)18-23(28)25-13-5-15-26-14-4-3-6-20(26)2/h7-10,20-21H,3-6,11-18H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyDOZXCOTVAZPVJG-HXUWFJFHSA-N
MW399.58 g/mol
LogP3.62
Rot. Bonds7

About 2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide

2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide (PubChem CID 92866855) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide
PubChem CID92866855
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide
SMILESCc1ccc(C(=O)N2CCC(CC(=O)NCCCN3CCCC[C@H]3C)CC2)cc1
InChIInChI=1S/C24H37N3O2/c1-19-7-9-22(10-8-19)24(29)27-16-11-21(12-17-27)18-23(28)25-13-5-15-26-14-4-3-6-20(26)2/h7-10,20-21H,3-6,11-18H2,1-2H3,(H,25,28)/t20-/m1/s1
InChIKeyDOZXCOTVAZPVJG-HXUWFJFHSA-N
XLogP3.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide 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

2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46295060
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46295063
1-(4-chlorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 9473017
1-(4-fluorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 39965506
N-(4-methylphenyl)-5-[4-[2-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871614
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 50767993
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 92866879
N-(3-chlorophenyl)-4-[2-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056113
N-(3-chlorophenyl)-4-[2-[3-[(2R)-2-methylpiperidin-1-yl]propylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 93056112
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92893418
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 120669404
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 93061141

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide?
The IUPAC name of 2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide (CID 92866855) is 2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide?
The canonical SMILES for 2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide is Cc1ccc(C(=O)N2CCC(CC(=O)NCCCN3CCCC[C@H]3C)CC2)cc1.
What is the InChIKey of 2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide?
The InChIKey is DOZXCOTVAZPVJG-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-19-7-9-22(10-8-19)24(29)27-16-11-21(12-17-27)18-23(28)25-13-5-15-26-14-4-3-6-20(26)2/h7-10,20-21H,3-6,11-18H2,1-2H3,(H,25,28)/t20-/m1/s1.
What are the key properties of 2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide?
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide has a molecular weight of 399.58 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide is sourced from PubChem (CID 92866855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).