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

C23H29N3O2 — CID 109056054

IUPAC3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)25-22(28)18-9-7-8-17(16-18)21(27)24-19-10-12-20(13-11-19)26-14-5-4-6-15-26/h7-13,16H,4-6,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeySCOWWYZRSNIFEP-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.46
Rot. Bonds4

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

3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109056054) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
PubChem CID109056054
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)25-22(28)18-9-7-8-17(16-18)21(27)24-19-10-12-20(13-11-19)26-14-5-4-6-15-26/h7-13,16H,4-6,14-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeySCOWWYZRSNIFEP-UHFFFAOYSA-N
XLogP4.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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'}

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Related Compounds

3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053
3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052099
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109051202
1-N-[2-(dimethylamino)ethyl]-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109053246
N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
CID 7582084
1-N-(3-methylbutyl)-3-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056231
3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052385
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
3-N-tert-butyl-1-N-(4-ethylphenyl)benzene-1,3-dicarboxamide
CID 109056003
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7491837

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide (CID 109056054) is 3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide is CC(C)(C)NC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is SCOWWYZRSNIFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-23(2,3)25-22(28)18-9-7-8-17(16-18)21(27)24-19-10-12-20(13-11-19)26-14-5-4-6-15-26/h7-13,16H,4-6,14-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide?
3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).