N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide

C17H25N3O2 — CID 108505148

IUPACN-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
SMILESCCCCNC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-2-3-11-18-16(21)17(22)19-14-7-9-15(10-8-14)20-12-5-4-6-13-20/h7-10H,2-6,11-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyLICQSICFDXAUSX-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.53
Rot. Bonds5

About N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide

N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide (PubChem CID 108505148) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
PubChem CID108505148
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
SMILESCCCCNC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-2-3-11-18-16(21)17(22)19-14-7-9-15(10-8-14)20-12-5-4-6-13-20/h7-10H,2-6,11-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyLICQSICFDXAUSX-UHFFFAOYSA-N
XLogP2.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.53
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
N'-[4-(4-methylpiperidin-1-yl)phenyl]-N-pentyloxamide
CID 108986432
1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109051202
3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109012504
N-butyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60720263
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(3,4-dimethylphenyl)oxamide
CID 16891955
N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108505469
1-ethyl-3-(4-piperidin-1-ylphenyl)urea
CID 108890460
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-[2-(4-chlorophenyl)ethyl]-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108985822
N-butyl-3-(4-piperidin-1-ylphenyl)propanamide
CID 110647332
N-butyl-N'-phenyloxamide
CID 2290889

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide?
The IUPAC name of N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide (CID 108505148) is N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide.
What is the SMILES notation for N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide?
The canonical SMILES for N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide is CCCCNC(=O)C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide?
The InChIKey is LICQSICFDXAUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-3-11-18-16(21)17(22)19-14-7-9-15(10-8-14)20-12-5-4-6-13-20/h7-10H,2-6,11-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide?
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide has a molecular weight of 303.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide is sourced from PubChem (CID 108505148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).