1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide

C23H29N3O2 — CID 109051202

IUPAC1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O2/c1-2-3-14-24-22(27)18-8-7-9-19(17-18)23(28)25-20-10-12-21(13-11-20)26-15-5-4-6-16-26/h7-13,17H,2-6,14-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyGXRCXNOIJJCRHF-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.46
Rot. Bonds7

About 1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide

1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109051202) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
PubChem CID109051202
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O2/c1-2-3-14-24-22(27)18-8-7-9-19(17-18)23(28)25-20-10-12-21(13-11-20)26-15-5-4-6-16-26/h7-13,17H,2-6,14-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyGXRCXNOIJJCRHF-UHFFFAOYSA-N
XLogP4.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.46
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'}

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109053246
1-N-(3-methylbutyl)-3-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056231
3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056054
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052099
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053
1-N-butyl-3-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109051156
3-N-(3-methoxypropyl)-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103690
3-N-(2-methoxyethyl)-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103527
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide (CID 109051202) is 1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is GXRCXNOIJJCRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-3-14-24-22(27)18-8-7-9-19(17-18)23(28)25-20-10-12-21(13-11-20)26-15-5-4-6-16-26/h7-13,17H,2-6,14-16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide?
1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).