N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide

C21H25N3O2 — CID 108953051

IUPACN'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H25N3O2/c1-16-6-5-7-18(14-16)23-21(26)15-20(25)22-17-8-10-19(11-9-17)24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyLSHAZLSYFYSPQS-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.95
Rot. Bonds5

About N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide

N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide (PubChem CID 108953051) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
PubChem CID108953051
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H25N3O2/c1-16-6-5-7-18(14-16)23-21(26)15-20(25)22-17-8-10-19(11-9-17)24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyLSHAZLSYFYSPQS-UHFFFAOYSA-N
XLogP3.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide 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

N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649572
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109009928
N-(3-methylphenyl)-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156289
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
N-(4-acetylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108956184
2-isocyano-N-(4-piperidin-1-ylphenyl)acetamide
CID 108814796
1-[(3-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108988759
1-[2-(3-methylphenyl)ethyl]-3-(4-piperidin-1-ylphenyl)urea
CID 108900783
2-bromo-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 63680073

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide?
The IUPAC name of N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide (CID 108953051) is N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide.
What is the SMILES notation for N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide?
The canonical SMILES for N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide is Cc1cccc(NC(=O)CC(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide?
The InChIKey is LSHAZLSYFYSPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-6-5-7-18(14-16)23-21(26)15-20(25)22-17-8-10-19(11-9-17)24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide?
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide has a molecular weight of 351.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide is sourced from PubChem (CID 108953051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).