N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide

C20H22ClN3O2 — CID 108954901

IUPACN'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22ClN3O2/c21-17-6-2-3-7-18(17)23-20(26)14-19(25)22-15-8-10-16(11-9-15)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14H2,(H,22,25)(H,23,26)
InChIKeyTZBLRCJWIDXYFR-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.30
Rot. Bonds5

About N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide

N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide (PubChem CID 108954901) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
PubChem CID108954901
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
SMILESO=C(CC(=O)Nc1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22ClN3O2/c21-17-6-2-3-7-18(17)23-20(26)14-19(25)22-15-8-10-16(11-9-15)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14H2,(H,22,25)(H,23,26)
InChIKeyTZBLRCJWIDXYFR-UHFFFAOYSA-N
XLogP4.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.30
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'}

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Related Compounds

N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649990
N-(2-chlorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037829
methyl 2-[[3-oxo-3-(4-piperidin-1-ylanilino)propanoyl]amino]benzoate
CID 108956300
N-(4-pyrrolidin-1-ylphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956040
N-[4-(azepan-1-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 7582236
2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109010505
2-(2-chlorophenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922500
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100508961
1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea
CID 47070264
N-(4-pyrrolidin-1-ylphenyl)-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108956501
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide?
The IUPAC name of N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide (CID 108954901) is N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide is O=C(CC(=O)Nc1ccccc1Cl)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide?
The InChIKey is TZBLRCJWIDXYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-17-6-2-3-7-18(17)23-20(26)14-19(25)22-15-8-10-16(11-9-15)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-14H2,(H,22,25)(H,23,26).
What are the key properties of N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide?
N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide has a molecular weight of 371.87 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)propanediamide is sourced from PubChem (CID 108954901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).