N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide

C15H20Cl2N2O2 — CID 119683871

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2ccc(Cl)cc2Cl)CCNCC1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(12-4-3-11(16)9-13(12)17)19-14(20)15(21-2)5-7-18-8-6-15/h3-4,9-10,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyTYMHCWHKUNCLAV-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.94
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide

N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119683871) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119683871
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NC(C)c2ccc(Cl)cc2Cl)CCNCC1
InChIInChI=1S/C15H20Cl2N2O2/c1-10(12-4-3-11(16)9-13(12)17)19-14(20)15(21-2)5-7-18-8-6-15/h3-4,9-10,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyTYMHCWHKUNCLAV-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-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-[1-(2-chloro-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119795506
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119686419
N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119683042
1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096941
1-amino-N-[1-(2,4-dichlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 54924993
3-chloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1,3-dimethylcyclobutane-1-carboxamide
CID 23550315
N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide
CID 119780906
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83080607
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119738672
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634609
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119683871) is N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NC(C)c2ccc(Cl)cc2Cl)CCNCC1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is TYMHCWHKUNCLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-10(12-4-3-11(16)9-13(12)17)19-14(20)15(21-2)5-7-18-8-6-15/h3-4,9-10,18H,5-8H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 331.24 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119683871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).