N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide

C21H25N3O2 — CID 108953212

IUPACN'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide
SMILESCN(C(=O)CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-23(18-8-4-2-5-9-18)21(26)16-20(25)22-17-10-12-19(13-11-17)24-14-6-3-7-15-24/h2,4-5,8-13H,3,6-7,14-16H2,1H3,(H,22,25)
InChIKeyKQALTQGLQMVHGW-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.67
Rot. Bonds5

About N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide

N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide (PubChem CID 108953212) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide.

Molecular Properties

Compound NameN'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide
PubChem CID108953212
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide
SMILESCN(C(=O)CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-23(18-8-4-2-5-9-18)21(26)16-20(25)22-17-10-12-19(13-11-17)24-14-6-3-7-15-24/h2,4-5,8-13H,3,6-7,14-16H2,1H3,(H,22,25)
InChIKeyKQALTQGLQMVHGW-UHFFFAOYSA-N
XLogP3.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
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'}

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Related Compounds

N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108520940
N'-benzyl-N'-ethyl-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108947396
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
1-ethyl-1-phenyl-3-(4-piperidin-1-ylphenyl)urea
CID 108991537
1-N'-methyl-1-N'-phenyl-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981003
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
N-[4-(dimethylamino)phenyl]-2-(4-piperidin-1-ylphenyl)acetamide
CID 110650708
3-hydroxy-3-phenyl-N-(4-piperidin-1-ylphenyl)butanamide
CID 110024262
N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949403
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide?
The IUPAC name of N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide (CID 108953212) is N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide.
What is the SMILES notation for N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide?
The canonical SMILES for N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide is CN(C(=O)CC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide?
The InChIKey is KQALTQGLQMVHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23(18-8-4-2-5-9-18)21(26)16-20(25)22-17-10-12-19(13-11-17)24-14-6-3-7-15-24/h2,4-5,8-13H,3,6-7,14-16H2,1H3,(H,22,25).
What are the key properties of N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide?
N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide has a molecular weight of 351.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-phenyl-N-(4-piperidin-1-ylphenyl)propanediamide is sourced from PubChem (CID 108953212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).