1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide

C18H28N2O2 — CID 10380335

IUPAC1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)ccc(O)c1C
InChIInChI=1S/C18H28N2O2/c1-4-5-11-20-12-7-6-8-15(20)18(22)19-17-13(2)9-10-16(21)14(17)3/h9-10,15,21H,4-8,11-12H2,1-3H3,(H,19,22)
InChIKeyAPYKFYXYNIYHGU-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.60
Rot. Bonds5

About 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide

1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide (PubChem CID 10380335) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide
PubChem CID10380335
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)ccc(O)c1C
InChIInChI=1S/C18H28N2O2/c1-4-5-11-20-12-7-6-8-15(20)18(22)19-17-13(2)9-10-16(21)14(17)3/h9-10,15,21H,4-8,11-12H2,1-3H3,(H,19,22)
InChIKeyAPYKFYXYNIYHGU-UHFFFAOYSA-N
XLogP3.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide (CID 10380335) is 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide is CCCCN1CCCCC1C(=O)Nc1c(C)ccc(O)c1C.
What is the InChIKey of 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide?
The InChIKey is APYKFYXYNIYHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-4-5-11-20-12-7-6-8-15(20)18(22)19-17-13(2)9-10-16(21)14(17)3/h9-10,15,21H,4-8,11-12H2,1-3H3,(H,19,22).
What are the key properties of 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide?
1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 10380335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).