N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide

C15H20Cl2N2O — CID 107067660

IUPACN-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-10-4-3-7-18-14(10)15(20)19(2)9-11-5-6-12(16)8-13(11)17/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3
InChIKeyJYLZLSYLMUPDKV-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.34
Rot. Bonds3

About N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide

N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide (PubChem CID 107067660) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
PubChem CID107067660
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-10-4-3-7-18-14(10)15(20)19(2)9-11-5-6-12(16)8-13(11)17/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3
InChIKeyJYLZLSYLMUPDKV-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2,4-dichlorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 93369186
N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067147
N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-methylpiperidine-2-carboxamide
CID 107067678
N-[2-(3-chlorophenoxy)ethyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067634
N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylpyrrolidine-2-carboxamide
CID 102778607
N,3-dimethyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
CID 107067215
N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 62339975
4-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79510878
N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 107067692
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
tert-butyl (3R)-3-[(2,4-dichlorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 97167074

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide (CID 107067660) is N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide is CC1CCCNC1C(=O)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide?
The InChIKey is JYLZLSYLMUPDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10-4-3-7-18-14(10)15(20)19(2)9-11-5-6-12(16)8-13(11)17/h5-6,8,10,14,18H,3-4,7,9H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 107067660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).