N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride

C17H23ClN2O — CID 175167521

IUPACN-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride
SMILESCC#CN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3;/h7-9,15H,5-6,10,12H2,1-3H3,(H,18,20);1H
InChIKeyBDLRWKUZCUGJGB-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.50
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride

N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride (PubChem CID 175167521) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride
PubChem CID175167521
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride
SMILESCC#CN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3;/h7-9,15H,5-6,10,12H2,1-3H3,(H,18,20);1H
InChIKeyBDLRWKUZCUGJGB-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222
(2R)-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-2-carboxamide
CID 125331278
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide
CID 151727892
(2S)-N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 156775866
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 174853104
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride (CID 175167521) is N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride is CC#CN1CCCCC1C(=O)Nc1c(C)cccc1C.Cl.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is BDLRWKUZCUGJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3;/h7-9,15H,5-6,10,12H2,1-3H3,(H,18,20);1H.
What are the key properties of N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride?
N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-prop-1-ynylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 175167521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).