N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide

C20H22ClN3O2 — CID 108507754

IUPACN-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22ClN3O2/c21-16-6-4-15(5-7-16)14-22-19(25)20(26)23-17-8-10-18(11-9-17)24-12-2-1-3-13-24/h4-11H,1-3,12-14H2,(H,22,25)(H,23,26)
InChIKeyRAGZISNDAQMELQ-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.59
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide

N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide (PubChem CID 108507754) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide
PubChem CID108507754
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22ClN3O2/c21-16-6-4-15(5-7-16)14-22-19(25)20(26)23-17-8-10-18(11-9-17)24-12-2-1-3-13-24/h4-11H,1-3,12-14H2,(H,22,25)(H,23,26)
InChIKeyRAGZISNDAQMELQ-UHFFFAOYSA-N
XLogP3.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.59
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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
2-(4-chlorophenyl)-N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]acetamide
CID 113000176
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108985031
N'-(3-chloro-4-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892340
N'-(2,5-dichlorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987617
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
N'-(4-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]oxamide
CID 42389768
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(4-piperidin-1-ylphenyl)urea
CID 113214541
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 113162820
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide (CID 108507754) is N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide?
The InChIKey is RAGZISNDAQMELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-16-6-4-15(5-7-16)14-22-19(25)20(26)23-17-8-10-18(11-9-17)24-12-2-1-3-13-24/h4-11H,1-3,12-14H2,(H,22,25)(H,23,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide has a molecular weight of 371.87 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(4-piperidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108507754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).