1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride

C17H26Cl2N2O — CID 174852348

IUPAC1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)C1CCCCN1CCCCl.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-13-7-5-8-14(2)16(13)19-17(21)15-9-3-4-11-20(15)12-6-10-18;/h5,7-8,15H,3-4,6,9-12H2,1-2H3,(H,19,21);1H
InChIKeyCDFSXWSNSURFEK-UHFFFAOYSA-N
MW345.31 g/mol
LogP4.15
Rot. Bonds5

About 1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride

1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 174852348) has the molecular formula C17H26Cl2N2O and a molecular weight of 345.31 g/mol. Its IUPAC name is 1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID174852348
Molecular FormulaC17H26Cl2N2O
Molecular Weight345.31 g/mol
Exact Mass344.14
IUPAC Name1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)C1CCCCN1CCCCl.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-13-7-5-8-14(2)16(13)19-17(21)15-9-3-4-11-20(15)12-6-10-18;/h5,7-8,15H,3-4,6,9-12H2,1-2H3,(H,19,21);1H
InChIKeyCDFSXWSNSURFEK-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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-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 chloride
CID 154730536
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
(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
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852420
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222
(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide
CID 151727892

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride (CID 174852348) is 1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride is Cc1cccc(C)c1NC(=O)C1CCCCN1CCCCl.Cl.
What is the InChIKey of 1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is CDFSXWSNSURFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O.ClH/c1-13-7-5-8-14(2)16(13)19-17(21)15-9-3-4-11-20(15)12-6-10-18;/h5,7-8,15H,3-4,6,9-12H2,1-2H3,(H,19,21);1H.
What are the key properties of 1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride?
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 345.31 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 174852348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).