1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride

C17H26Cl2N2O — CID 174852420

IUPAC1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCc1cc(C)cc(NC(=O)C2CCCCN2CCCCl)c1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-13-10-14(2)12-15(11-13)19-17(21)16-6-3-4-8-20(16)9-5-7-18;/h10-12,16H,3-9H2,1-2H3,(H,19,21);1H
InChIKeyWLZFCMYXSUOWPQ-UHFFFAOYSA-N
MW345.31 g/mol
LogP4.15
Rot. Bonds5

About 1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride

1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 174852420) has the molecular formula C17H26Cl2N2O and a molecular weight of 345.31 g/mol. Its IUPAC name is 1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID174852420
Molecular FormulaC17H26Cl2N2O
Molecular Weight345.31 g/mol
Exact Mass344.14
IUPAC Name1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCc1cc(C)cc(NC(=O)C2CCCCN2CCCCl)c1.Cl
InChIInChI=1S/C17H25ClN2O.ClH/c1-13-10-14(2)12-15(11-13)19-17(21)16-6-3-4-8-20(16)9-5-7-18;/h10-12,16H,3-9H2,1-2H3,(H,19,21);1H
InChIKeyWLZFCMYXSUOWPQ-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

1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348
1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 3916736
4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
CID 119955394
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 174853104
(2S)-N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 156775866
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
1-[3-[[amino-(3,5-dimethylanilino)methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 111096948
(2S)-N-(3,5-dimethylphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 40853891
(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)-N-(4-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
CID 24892800
(2S)-1-(benzenesulfonyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide
CID 2648510

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride (CID 174852420) is 1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride is Cc1cc(C)cc(NC(=O)C2CCCCN2CCCCl)c1.Cl.
What is the InChIKey of 1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is WLZFCMYXSUOWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O.ClH/c1-13-10-14(2)12-15(11-13)19-17(21)16-6-3-4-8-20(16)9-5-7-18;/h10-12,16H,3-9H2,1-2H3,(H,19,21);1H.
What are the key properties of 1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride?
1-(3-chloropropyl)-N-(3,5-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-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 174852420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).