(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride

C18H28ClN2O- — CID 154730536

IUPAC(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
SMILESCCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.[Cl-]
InChIInChI=1S/C18H28N2O.ClH/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);1H/p-1/t16-;/m0./s1
InChIKeySIEYLFHKZGLBNX-NTISSMGPSA-M
MW323.89 g/mol
LogP0.90
Rot. Bonds5

About (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride

(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride (PubChem CID 154730536) has the molecular formula C18H28ClN2O- and a molecular weight of 323.89 g/mol. Its IUPAC name is (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride.

Molecular Properties

Compound Name(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
PubChem CID154730536
Molecular FormulaC18H28ClN2O-
Molecular Weight323.89 g/mol
Exact Mass323.19
IUPAC Name(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
SMILESCCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.[Cl-]
InChIInChI=1S/C18H28N2O.ClH/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);1H/p-1/t16-;/m0./s1
InChIKeySIEYLFHKZGLBNX-NTISSMGPSA-M
XLogP0.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
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
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide
CID 122503909
(2S)-N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 156775866
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 174853104
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide
CID 151727892
[2-(2,6-dimethylanilino)-2-oxoethyl]-[8-[2-[(2,6-dimethylphenyl)carbamoyl]piperidin-1-yl]octyl]-ethyl-propylazanium
CID 139406977

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride?
The IUPAC name of (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride (CID 154730536) is (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride.
What is the SMILES notation for (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride?
The canonical SMILES for (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride is CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.[Cl-].
What is the InChIKey of (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride?
The InChIKey is SIEYLFHKZGLBNX-NTISSMGPSA-M. The full InChI is InChI=1S/C18H28N2O.ClH/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);1H/p-1/t16-;/m0./s1.
What are the key properties of (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride?
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride has a molecular weight of 323.89 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride is sourced from PubChem (CID 154730536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).