N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide

C15H20Cl2N2O — CID 107067147

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-10-3-2-7-18-14(10)15(20)19-8-6-11-4-5-12(16)9-13(11)17/h4-5,9-10,14,18H,2-3,6-8H2,1H3,(H,19,20)
InChIKeyTTZZFXVGZZBQQB-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.04
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide (PubChem CID 107067147) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
PubChem CID107067147
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c1-10-3-2-7-18-14(10)15(20)19-8-6-11-4-5-12(16)9-13(11)17/h4-5,9-10,14,18H,2-3,6-8H2,1H3,(H,19,20)
InChIKeyTTZZFXVGZZBQQB-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777056
N-[(2,4-dichlorophenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 107067660
N-[2-(2-methoxyphenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 106260939
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
N-[2-(2,4-dichlorophenyl)ethyl]-1-methylpyrrolidine-2-carboxamide
CID 110856253
4-N-tert-butyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149558
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107625589
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylpiperidine-2-carboxamide
CID 107067123
N-[2-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropanecarboxamide
CID 110866286
4-N-cyclopropyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109144732
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 107068174
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide (CID 107067147) is N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
The InChIKey is TTZZFXVGZZBQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c1-10-3-2-7-18-14(10)15(20)19-8-6-11-4-5-12(16)9-13(11)17/h4-5,9-10,14,18H,2-3,6-8H2,1H3,(H,19,20).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide has a molecular weight of 315.24 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).