N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C16H23Cl3N2O3 — CID 120635556

IUPACN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(O)c2c(Cl)cccc2Cl)CCNCC1.Cl
InChIInChI=1S/C16H22Cl2N2O3.ClH/c1-23-10-16(5-7-19-8-6-16)15(22)20-9-13(21)14-11(17)3-2-4-12(14)18;/h2-4,13,19,21H,5-10H2,1H3,(H,20,22);1H
InChIKeyGFRTZRFIYLQHRM-UHFFFAOYSA-N
MW397.73 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120635556) has the molecular formula C16H23Cl3N2O3 and a molecular weight of 397.73 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120635556
Molecular FormulaC16H23Cl3N2O3
Molecular Weight397.73 g/mol
Exact Mass396.08
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(O)c2c(Cl)cccc2Cl)CCNCC1.Cl
InChIInChI=1S/C16H22Cl2N2O3.ClH/c1-23-10-16(5-7-19-8-6-16)15(22)20-9-13(21)14-11(17)3-2-4-12(14)18;/h2-4,13,19,21H,5-10H2,1H3,(H,20,22);1H
InChIKeyGFRTZRFIYLQHRM-UHFFFAOYSA-N
XLogP2.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.73
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625301
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636634
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120633447
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630764
N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120618096
N-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120635170
4-(methoxymethyl)-N-[2-(3-methoxyphenoxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 120636224
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114154115
4-(methoxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)piperidine-4-carboxamide;hydrochloride
CID 120625793
N-[2-[(3-bromophenyl)methyl]butyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634778
N-[2-(3-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636250

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120635556) is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCC(O)c2c(Cl)cccc2Cl)CCNCC1.Cl.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is GFRTZRFIYLQHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3.ClH/c1-23-10-16(5-7-19-8-6-16)15(22)20-9-13(21)14-11(17)3-2-4-12(14)18;/h2-4,13,19,21H,5-10H2,1H3,(H,20,22);1H.
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 397.73 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120635556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).