N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride

C18H27Cl3N2O — CID 119318824

IUPACN-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride
SMILESCCC(CC)(CNC(=O)C1CCNCC1)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C18H26Cl2N2O.ClH/c1-3-18(4-2,14-5-6-15(19)16(20)11-14)12-22-17(23)13-7-9-21-10-8-13;/h5-6,11,13,21H,3-4,7-10,12H2,1-2H3,(H,22,23);1H
InChIKeyDTXGLSJWFFSGCW-UHFFFAOYSA-N
MW393.79 g/mol
LogP4.59
Rot. Bonds6

About N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride

N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119318824) has the molecular formula C18H27Cl3N2O and a molecular weight of 393.79 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119318824
Molecular FormulaC18H27Cl3N2O
Molecular Weight393.79 g/mol
Exact Mass392.12
IUPAC NameN-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride
SMILESCCC(CC)(CNC(=O)C1CCNCC1)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C18H26Cl2N2O.ClH/c1-3-18(4-2,14-5-6-15(19)16(20)11-14)12-22-17(23)13-7-9-21-10-8-13;/h5-6,11,13,21H,3-4,7-10,12H2,1-2H3,(H,22,23);1H
InChIKeyDTXGLSJWFFSGCW-UHFFFAOYSA-N
XLogP4.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.79
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichlorophenyl)-2-methylpropyl]piperidine-3-carboxamide;hydrochloride
CID 119311595
(2R)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide;hydrochloride
CID 119318826
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]piperidine-4-carboxamide;hydrochloride
CID 75429785
(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide
CID 119318819
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidine-4-carboxamide
CID 119334148
N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide
CID 119315399
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070
2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxypropanamide;hydrochloride
CID 120989046
N-(3,4-dichlorophenyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 140562387
N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine
CID 63510234
2-(3,4-dichlorophenyl)-2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119535702
4-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]-3-methoxybutanamide
CID 120591750

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride (CID 119318824) is N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride is CCC(CC)(CNC(=O)C1CCNCC1)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is DTXGLSJWFFSGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2N2O.ClH/c1-3-18(4-2,14-5-6-15(19)16(20)11-14)12-22-17(23)13-7-9-21-10-8-13;/h5-6,11,13,21H,3-4,7-10,12H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride?
N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 393.79 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119318824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).