1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride

C18H31ClN2O2 — CID 5282419

IUPAC1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl.O
InChIInChI=1S/C18H28N2O.ClH.H2O/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;1H2
InChIKeyHUCIWBPMHXGLFM-UHFFFAOYSA-N
MW342.91 g/mol
LogP3.49
Rot. Bonds5

About 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride

1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride (PubChem CID 5282419) has the molecular formula C18H31ClN2O2 and a molecular weight of 342.91 g/mol. Its IUPAC name is 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride.

Molecular Properties

Compound Name1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride
PubChem CID5282419
Molecular FormulaC18H31ClN2O2
Molecular Weight342.91 g/mol
Exact Mass342.21
IUPAC Name1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride
SMILESCCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl.O
InChIInChI=1S/C18H28N2O.ClH.H2O/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;1H2
InChIKeyHUCIWBPMHXGLFM-UHFFFAOYSA-N
XLogP3.49
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride?
The IUPAC name of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride (CID 5282419) is 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride.
What is the SMILES notation for 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride?
The canonical SMILES for 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride is CCCCN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl.O.
What is the InChIKey of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride?
The InChIKey is HUCIWBPMHXGLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH.H2O/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;1H2.
What are the key properties of 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride?
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrate;hydrochloride is sourced from PubChem (CID 5282419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).