N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C17H26BrClN2O2 — CID 120637795

IUPACN-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)Cc2ccccc2Br)CCNCC1.Cl
InChIInChI=1S/C17H25BrN2O2.ClH/c1-13(11-14-5-3-4-6-15(14)18)20-16(21)17(12-22-2)7-9-19-10-8-17;/h3-6,13,19H,7-12H2,1-2H3,(H,20,21);1H
InChIKeyWWOXVWHMBRNLTA-UHFFFAOYSA-N
MW405.76 g/mol
LogP2.93
Rot. Bonds6

About N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120637795) has the molecular formula C17H26BrClN2O2 and a molecular weight of 405.76 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120637795
Molecular FormulaC17H26BrClN2O2
Molecular Weight405.76 g/mol
Exact Mass404.09
IUPAC NameN-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NC(C)Cc2ccccc2Br)CCNCC1.Cl
InChIInChI=1S/C17H25BrN2O2.ClH/c1-13(11-14-5-3-4-6-15(14)18)20-16(21)17(12-22-2)7-9-19-10-8-17;/h3-6,13,19H,7-12H2,1-2H3,(H,20,21);1H
InChIKeyWWOXVWHMBRNLTA-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.76
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637796
N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620352
N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120627696
4-(methoxymethyl)-N-(3-phenylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120633881
N-(5,5-dimethylhexan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634804
4-(aminomethyl)-N-[1-(2-bromophenyl)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120936516
4-(methoxymethyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618108
N-[1-(2-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119814306
4-(methoxymethyl)-N-[1-(4-phenoxyphenyl)ethyl]piperidine-4-carboxamide
CID 120629843
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042076

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120637795) is N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NC(C)Cc2ccccc2Br)CCNCC1.Cl.
What is the InChIKey of N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is WWOXVWHMBRNLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2.ClH/c1-13(11-14-5-3-4-6-15(14)18)20-16(21)17(12-22-2)7-9-19-10-8-17;/h3-6,13,19H,7-12H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 405.76 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120637795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).