1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide

C18H29N2O+ — CID 24848321

IUPAC1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide
SMILESCCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/p+1
InChIKeyLEBVLXFERQHONN-UHFFFAOYSA-O
MW289.44 g/mol
LogP2.48
Rot. Bonds5

About 1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide

1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide (PubChem CID 24848321) has the molecular formula C18H29N2O+ and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide
PubChem CID24848321
Molecular FormulaC18H29N2O+
Molecular Weight289.44 g/mol
Exact Mass289.23
IUPAC Name1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide
SMILESCCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C
InChIInChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/p+1
InChIKeyLEBVLXFERQHONN-UHFFFAOYSA-O
XLogP2.48
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide;dodecanoate
CID 121483382
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidin-1-ium-2-carboxamide;chloride;hydrate
CID 53262281
N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide
CID 24848322
N-(2,6-dimethylphenyl)-1-methylpiperidin-1-ium-2-carboxamide chloride
CID 517315
(2S,4R)-4-(2-chloroethyl)-N-(2,6-dimethylphenyl)-1-propylpiperidin-1-ium-2-carboxamide chloride
CID 159335658
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid
CID 66615074
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
(1R)-2-butyl-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide;dodecanoic acid
CID 159336063
N-(2,6-dimethylphenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82121754

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide?
The IUPAC name of 1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide (CID 24848321) is 1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide.
What is the SMILES notation for 1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide?
The canonical SMILES for 1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide is CCCC[NH+]1CCCCC1C(=O)Nc1c(C)cccc1C.
What is the InChIKey of 1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide?
The InChIKey is LEBVLXFERQHONN-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/p+1.
What are the key properties of 1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide?
1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide has a molecular weight of 289.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,6-dimethylphenyl)piperidin-1-ium-2-carboxamide is sourced from PubChem (CID 24848321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).