N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C14H19BrCl2N2O2 — CID 119753686

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCc2ccc(Br)cc2Cl)CCNCC1.Cl
InChIInChI=1S/C14H18BrClN2O2.ClH/c1-20-14(4-6-17-7-5-14)13(19)18-9-10-2-3-11(15)8-12(10)16;/h2-3,8,17H,4-7,9H2,1H3,(H,18,19);1H
InChIKeyJMCYPHNRDOMYKG-UHFFFAOYSA-N
MW398.13 g/mol
LogP2.91
Rot. Bonds4

About N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119753686) has the molecular formula C14H19BrCl2N2O2 and a molecular weight of 398.13 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119753686
Molecular FormulaC14H19BrCl2N2O2
Molecular Weight398.13 g/mol
Exact Mass396.00
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCc2ccc(Br)cc2Cl)CCNCC1.Cl
InChIInChI=1S/C14H18BrClN2O2.ClH/c1-20-14(4-6-17-7-5-14)13(19)18-9-10-2-3-11(15)8-12(10)16;/h2-3,8,17H,4-7,9H2,1H3,(H,18,19);1H
InChIKeyJMCYPHNRDOMYKG-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.13
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
4-methoxy-N-[(4-methyl-2-methylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119811691
1-amino-N-[(4-bromo-2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306102
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119800235
N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide
CID 119780906
N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119796446
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708894
N-[[2-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718350
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119739146
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119746393

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119753686) is N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCc2ccc(Br)cc2Cl)CCNCC1.Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is JMCYPHNRDOMYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O2.ClH/c1-20-14(4-6-17-7-5-14)13(19)18-9-10-2-3-11(15)8-12(10)16;/h2-3,8,17H,4-7,9H2,1H3,(H,18,19);1H.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 398.13 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119753686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).