N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide

C17H26N2O2 — CID 54856149

IUPACN-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide
SMILESCCCCOc1ccccc1NC(=O)C1CCCC(C)N1
InChIInChI=1S/C17H26N2O2/c1-3-4-12-21-16-11-6-5-9-14(16)19-17(20)15-10-7-8-13(2)18-15/h5-6,9,11,13,15,18H,3-4,7-8,10,12H2,1-2H3,(H,19,20)
InChIKeyZWXIKCDDVUUISB-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.33
Rot. Bonds6

About N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide

N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide (PubChem CID 54856149) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide
PubChem CID54856149
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide
SMILESCCCCOc1ccccc1NC(=O)C1CCCC(C)N1
InChIInChI=1S/C17H26N2O2/c1-3-4-12-21-16-11-6-5-9-14(16)19-17(20)15-10-7-8-13(2)18-15/h5-6,9,11,13,15,18H,3-4,7-8,10,12H2,1-2H3,(H,19,20)
InChIKeyZWXIKCDDVUUISB-UHFFFAOYSA-N
XLogP3.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-[(6-methylpiperidin-2-yl)methyl]aniline
CID 54855465
6-methyl-N-(4-propoxyphenyl)piperidine-2-carboxamide
CID 54855992
1,3-bis(2-butoxyphenyl)urea
CID 17170447
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495
N-[(2-butoxyphenyl)carbamothioyl]cyclopropanecarboxamide
CID 17087162
N-(2-butoxyphenyl)propanamide
CID 15943029
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
(2R)-N-[2-(2-methylpropoxy)phenyl]pyrrolidine-2-carboxamide
CID 93360502
N-(2-butoxyphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55906919
4-ethyl-N-(2-propoxyphenyl)piperidine-2-carboxamide
CID 114428199
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide (CID 54856149) is N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide is CCCCOc1ccccc1NC(=O)C1CCCC(C)N1.
What is the InChIKey of N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide?
The InChIKey is ZWXIKCDDVUUISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-12-21-16-11-6-5-9-14(16)19-17(20)15-10-7-8-13(2)18-15/h5-6,9,11,13,15,18H,3-4,7-8,10,12H2,1-2H3,(H,19,20).
What are the key properties of N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide?
N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-6-methylpiperidine-2-carboxamide is sourced from PubChem (CID 54856149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).