1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide

C24H32N2O2 — CID 146596074

IUPAC1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide
SMILESCCCCN1C(C(=O)Nc2c(C)cccc2C)CCCC1c1ccc(O)cc1
InChIInChI=1S/C24H32N2O2/c1-4-5-16-26-21(19-12-14-20(27)15-13-19)10-7-11-22(26)24(28)25-23-17(2)8-6-9-18(23)3/h6,8-9,12-15,21-22,27H,4-5,7,10-11,16H2,1-3H3,(H,25,28)
InChIKeyHKPCTYPMUGTYHU-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.34
Rot. Bonds6

About 1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide

1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide (PubChem CID 146596074) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide
PubChem CID146596074
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide
SMILESCCCCN1C(C(=O)Nc2c(C)cccc2C)CCCC1c1ccc(O)cc1
InChIInChI=1S/C24H32N2O2/c1-4-5-16-26-21(19-12-14-20(27)15-13-19)10-7-11-22(26)24(28)25-23-17(2)8-6-9-18(23)3/h6,8-9,12-15,21-22,27H,4-5,7,10-11,16H2,1-3H3,(H,25,28)
InChIKeyHKPCTYPMUGTYHU-UHFFFAOYSA-N
XLogP5.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide (CID 146596074) is 1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide is CCCCN1C(C(=O)Nc2c(C)cccc2C)CCCC1c1ccc(O)cc1.
What is the InChIKey of 1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide?
The InChIKey is HKPCTYPMUGTYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-5-16-26-21(19-12-14-20(27)15-13-19)10-7-11-22(26)24(28)25-23-17(2)8-6-9-18(23)3/h6,8-9,12-15,21-22,27H,4-5,7,10-11,16H2,1-3H3,(H,25,28).
What are the key properties of 1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide?
1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,6-dimethylphenyl)-6-(4-hydroxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 146596074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).