N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C17H25Cl3N2O2 — CID 120624881

IUPACN-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(COC)CCNCC1.Cl
InChIInChI=1S/C17H24Cl2N2O2.ClH/c1-3-21(11-13-4-5-14(18)15(19)10-13)16(22)17(12-23-2)6-8-20-9-7-17;/h4-5,10,20H,3,6-9,11-12H2,1-2H3;1H
InChIKeyIHKUUAAMIZFJPY-UHFFFAOYSA-N
MW395.76 g/mol
LogP3.78
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120624881) has the molecular formula C17H25Cl3N2O2 and a molecular weight of 395.76 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120624881
Molecular FormulaC17H25Cl3N2O2
Molecular Weight395.76 g/mol
Exact Mass394.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(COC)CCNCC1.Cl
InChIInChI=1S/C17H24Cl2N2O2.ClH/c1-3-21(11-13-4-5-14(18)15(19)10-13)16(22)17(12-23-2)6-8-20-9-7-17;/h4-5,10,20H,3,6-9,11-12H2,1-2H3;1H
InChIKeyIHKUUAAMIZFJPY-UHFFFAOYSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618338
N-ethyl-4-(methoxymethyl)-N-propylpiperidine-4-carboxamide;hydrochloride
CID 120620366
N-ethyl-N-(2-hydroxyethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042000
N-(2-ethoxyethyl)-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120626354
4-(methoxymethyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120617386
N-[(3-hydroxy-4-methoxyphenyl)methyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120625054
N-[2-(diethylamino)-2-oxoethyl]-4-(methoxymethyl)-N-methylpiperidine-4-carboxamide;hydrochloride
CID 120617930
N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 119743617
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide
CID 63122209
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylacetamide
CID 66568191
(2S,4S)-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624877
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120624881) is N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1(COC)CCNCC1.Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is IHKUUAAMIZFJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2.ClH/c1-3-21(11-13-4-5-14(18)15(19)10-13)16(22)17(12-23-2)6-8-20-9-7-17;/h4-5,10,20H,3,6-9,11-12H2,1-2H3;1H.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 395.76 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-ethyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).