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

C17H26N2O2 — CID 10379478

IUPACN-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
SMILESCCCN1CCCCC1C(=O)Nc1c(C)ccc(O)c1C
InChIInChI=1S/C17H26N2O2/c1-4-10-19-11-6-5-7-14(19)17(21)18-16-12(2)8-9-15(20)13(16)3/h8-9,14,20H,4-7,10-11H2,1-3H3,(H,18,21)
InChIKeyIXOVDWXTIIYVOJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.21
Rot. Bonds4

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

N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide (PubChem CID 10379478) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
PubChem CID10379478
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
SMILESCCCN1CCCCC1C(=O)Nc1c(C)ccc(O)c1C
InChIInChI=1S/C17H26N2O2/c1-4-10-19-11-6-5-7-14(19)17(21)18-16-12(2)8-9-15(20)13(16)3/h8-9,14,20H,4-7,10-11H2,1-3H3,(H,18,21)
InChIKeyIXOVDWXTIIYVOJ-UHFFFAOYSA-N
XLogP3.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide (CID 10379478) is N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide is CCCN1CCCCC1C(=O)Nc1c(C)ccc(O)c1C.
What is the InChIKey of N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide?
The InChIKey is IXOVDWXTIIYVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-10-19-11-6-5-7-14(19)17(21)18-16-12(2)8-9-15(20)13(16)3/h8-9,14,20H,4-7,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide?
N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide is sourced from PubChem (CID 10379478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).