N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide

C14H18BrClN2O2 — CID 63129991

IUPACN-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)C1(C)CCCNC1
InChIInChI=1S/C14H18BrClN2O2/c1-14(4-3-5-17-8-14)13(19)18-11-7-9(16)6-10(15)12(11)20-2/h6-7,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyCDCQDQYCOSDPKP-UHFFFAOYSA-N
MW361.67 g/mol
LogP3.44
Rot. Bonds3

About N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide

N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide (PubChem CID 63129991) has the molecular formula C14H18BrClN2O2 and a molecular weight of 361.67 g/mol. Its IUPAC name is N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
PubChem CID63129991
Molecular FormulaC14H18BrClN2O2
Molecular Weight361.67 g/mol
Exact Mass360.02
IUPAC NameN-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
SMILESCOc1c(Br)cc(Cl)cc1NC(=O)C1(C)CCCNC1
InChIInChI=1S/C14H18BrClN2O2/c1-14(4-3-5-17-8-14)13(19)18-11-7-9(16)6-10(15)12(11)20-2/h6-7,17H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyCDCQDQYCOSDPKP-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.67
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
CID 107790194
N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130077
4-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131872
N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
CID 104727176
N-(4-fluoro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 55166819
5-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131916
N-(2-bromo-4-nitrophenyl)-3-methylpiperidine-3-carboxamide
CID 63130791
N-(5-chloro-2-fluorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63138625
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119944066
methyl 4-chloro-2-[(3-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63139636
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 104723664

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide (CID 63129991) is N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide is COc1c(Br)cc(Cl)cc1NC(=O)C1(C)CCCNC1.
What is the InChIKey of N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide?
The InChIKey is CDCQDQYCOSDPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O2/c1-14(4-3-5-17-8-14)13(19)18-11-7-9(16)6-10(15)12(11)20-2/h6-7,17H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide?
N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide has a molecular weight of 361.67 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-chloro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63129991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).