N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide

C14H17BrClN3O2 — CID 155244403

IUPACN-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(Br)c(Cl)cc2C(N)=O)CC1
InChIInChI=1S/C14H17BrClN3O2/c1-19-4-2-8(3-5-19)14(21)18-12-7-10(15)11(16)6-9(12)13(17)20/h6-8H,2-5H2,1H3,(H2,17,20)(H,18,21)
InChIKeySHFUVMGGTZORFZ-UHFFFAOYSA-N
MW374.67 g/mol
LogP2.48
Rot. Bonds3

About N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide

N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide (PubChem CID 155244403) has the molecular formula C14H17BrClN3O2 and a molecular weight of 374.67 g/mol. Its IUPAC name is N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide
PubChem CID155244403
Molecular FormulaC14H17BrClN3O2
Molecular Weight374.67 g/mol
Exact Mass373.02
IUPAC NameN-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc(Br)c(Cl)cc2C(N)=O)CC1
InChIInChI=1S/C14H17BrClN3O2/c1-19-4-2-8(3-5-19)14(21)18-12-7-10(15)11(16)6-9(12)13(17)20/h6-8H,2-5H2,1H3,(H2,17,20)(H,18,21)
InChIKeySHFUVMGGTZORFZ-UHFFFAOYSA-N
XLogP2.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-6-carbamoyl-4-chloro-2-fluorophenyl)-1-methylpiperidine-4-carboxamide
CID 155244466
N-(5-bromo-2-carbamoyl-4-fluorophenyl)-1-methylpyrrolidine-3-carboxamide;tert-butyl formate
CID 178029268
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
N-(3-carbamoyl-2-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284615
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756
N-(5-bromo-2-carbamothioylphenyl)cyclopropanecarboxamide
CID 107798666
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
N-(5-bromo-2-carbamothioylphenyl)cyclopentanecarboxamide
CID 114002608
N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284541
[(1-methylpiperidine-4-carbonyl)amino]thiourea
CID 45097493
N-(3-carbamoyl-4-chlorophenyl)-1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 46570709

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide (CID 155244403) is N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc(Br)c(Cl)cc2C(N)=O)CC1.
What is the InChIKey of N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide?
The InChIKey is SHFUVMGGTZORFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3O2/c1-19-4-2-8(3-5-19)14(21)18-12-7-10(15)11(16)6-9(12)13(17)20/h6-8H,2-5H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide?
N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide has a molecular weight of 374.67 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-carbamoyl-4-chlorophenyl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 155244403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).