N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide

C15H21BrN2O — CID 81291548

IUPACN-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1(C)CCNCC1
InChIInChI=1S/C15H21BrN2O/c1-3-11-10-12(16)4-5-13(11)18-14(19)15(2)6-8-17-9-7-15/h4-5,10,17H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyLBKHAQPFZBKHFY-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.34
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide

N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide (PubChem CID 81291548) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide
PubChem CID81291548
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)C1(C)CCNCC1
InChIInChI=1S/C15H21BrN2O/c1-3-11-10-12(16)4-5-13(11)18-14(19)15(2)6-8-17-9-7-15/h4-5,10,17H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyLBKHAQPFZBKHFY-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-methylpiperidine-4-carboxamide
CID 63121522
N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
CID 81287911
N-(4-bromo-2-ethylphenyl)-2-methyloxolane-2-carboxamide
CID 81037060
5-bromo-2-[(4-ethylpiperidine-4-carbonyl)amino]benzoic acid
CID 63128962
N-(5-bromo-2-chlorophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141919
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544
N-(2-bromo-4-nitrophenyl)-4-methylpiperidine-4-carboxamide
CID 63121705
N-(4-bromo-2-ethylphenyl)-3-piperidin-4-ylpropanamide
CID 81291964
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567626
N-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63142327
N-(4-fluoro-2-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121495

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide (CID 81291548) is N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide is CCc1cc(Br)ccc1NC(=O)C1(C)CCNCC1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide?
The InChIKey is LBKHAQPFZBKHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-3-11-10-12(16)4-5-13(11)18-14(19)15(2)6-8-17-9-7-15/h4-5,10,17H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide?
N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 81291548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).