N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C16H24Cl2N2O2 — CID 120618096

IUPACN-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCc2cccc(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-21-12-16(6-9-18-10-7-16)15(20)19-8-5-13-3-2-4-14(17)11-13;/h2-4,11,18H,5-10,12H2,1H3,(H,19,20);1H
InChIKeyRQRRFTXHLMEFHB-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120618096) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120618096
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCc2cccc(Cl)c2)CCNCC1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-21-12-16(6-9-18-10-7-16)15(20)19-8-5-13-3-2-4-14(17)11-13;/h2-4,11,18H,5-10,12H2,1H3,(H,19,20);1H
InChIKeyRQRRFTXHLMEFHB-UHFFFAOYSA-N
XLogP2.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623811
N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625301
4-(methoxymethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120633664
4-(methoxymethyl)-N-(5-phenylpentyl)piperidine-4-carboxamide;hydrochloride
CID 120630674
N-[2-(3,5-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120628206
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120633424
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630988
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636634
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635556
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120641219

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120618096) is N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCCc2cccc(Cl)c2)CCNCC1.Cl.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is RQRRFTXHLMEFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2.ClH/c1-21-12-16(6-9-18-10-7-16)15(20)19-8-5-13-3-2-4-14(17)11-13;/h2-4,11,18H,5-10,12H2,1H3,(H,19,20);1H.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120618096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).