3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide

C18H28N2O3 — CID 110922264

IUPAC3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide
SMILESCC(C)CCOc1ccccc1CNC(=O)N1CCCC(O)C1
InChIInChI=1S/C18H28N2O3/c1-14(2)9-11-23-17-8-4-3-6-15(17)12-19-18(22)20-10-5-7-16(21)13-20/h3-4,6,8,14,16,21H,5,7,9-13H2,1-2H3,(H,19,22)
InChIKeyFGVBPXRUGAAINS-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.78
Rot. Bonds6

About 3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide

3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 110922264) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide
PubChem CID110922264
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide
SMILESCC(C)CCOc1ccccc1CNC(=O)N1CCCC(O)C1
InChIInChI=1S/C18H28N2O3/c1-14(2)9-11-23-17-8-4-3-6-15(17)12-19-18(22)20-10-5-7-16(21)13-20/h3-4,6,8,14,16,21H,5,7,9-13H2,1-2H3,(H,19,22)
InChIKeyFGVBPXRUGAAINS-UHFFFAOYSA-N
XLogP2.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 110895568
3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60618232
3-hydroxy-N-(2-naphthalen-1-yloxyethyl)piperidine-1-carboxamide
CID 110900873
2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 60622067
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 111459230
(3R)-3-hydroxy-N-[2-(2-methylphenoxy)propyl]piperidine-1-carboxamide
CID 167822127
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
(3S)-N-[(2-ethoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95765233
(2S)-2-amino-3,3-dimethyl-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759025
N'-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727886
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71868134
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide
CID 60618262

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide (CID 110922264) is 3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide is CC(C)CCOc1ccccc1CNC(=O)N1CCCC(O)C1.
What is the InChIKey of 3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is FGVBPXRUGAAINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(2)9-11-23-17-8-4-3-6-15(17)12-19-18(22)20-10-5-7-16(21)13-20/h3-4,6,8,14,16,21H,5,7,9-13H2,1-2H3,(H,19,22).
What are the key properties of 3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide?
3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[2-(3-methylbutoxy)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110922264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).