N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C15H22BrClN2O2 — CID 120620352

IUPACN-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCc2ccccc2Br)CCNCC1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-20-11-15(6-8-17-9-7-15)14(19)18-10-12-4-2-3-5-13(12)16;/h2-5,17H,6-11H2,1H3,(H,18,19);1H
InChIKeyNJPWNXZIXORHTG-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.50
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120620352) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120620352
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC NameN-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCc2ccccc2Br)CCNCC1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-20-11-15(6-8-17-9-7-15)14(19)18-10-12-4-2-3-5-13(12)16;/h2-5,17H,6-11H2,1H3,(H,18,19);1H
InChIKeyNJPWNXZIXORHTG-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120637795
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637796
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120645726
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
4-(methoxymethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120624401
4-(methoxymethyl)-N-[[2-(2-methylpropoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120624410
4-(methoxymethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 120615837
N-[(5-bromothiophen-2-yl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623208
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
N-(furan-2-ylmethyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120647952

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120620352) is N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCc2ccccc2Br)CCNCC1.Cl.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is NJPWNXZIXORHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-20-11-15(6-8-17-9-7-15)14(19)18-10-12-4-2-3-5-13(12)16;/h2-5,17H,6-11H2,1H3,(H,18,19);1H.
What are the key properties of N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120620352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).