N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide

C17H24BrN3O2 — CID 71840480

IUPACN-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(=O)NCC1CCCN(C(=O)Nc2ccc(Br)c(C)c2)C1
InChIInChI=1S/C17H24BrN3O2/c1-3-16(22)19-10-13-5-4-8-21(11-13)17(23)20-14-6-7-15(18)12(2)9-14/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyUYVSOZGMZBVZDB-UHFFFAOYSA-N
MW382.30 g/mol
LogP3.53
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide

N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide (PubChem CID 71840480) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
PubChem CID71840480
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC NameN-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(=O)NCC1CCCN(C(=O)Nc2ccc(Br)c(C)c2)C1
InChIInChI=1S/C17H24BrN3O2/c1-3-16(22)19-10-13-5-4-8-21(11-13)17(23)20-14-6-7-15(18)12(2)9-14/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyUYVSOZGMZBVZDB-UHFFFAOYSA-N
XLogP3.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840485
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
CID 71840458
N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840473
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840487
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466
N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111112986
N-(4-acetamido-3-methylphenyl)-3-[(pyrrolidine-2-carbonylamino)methyl]piperidine-1-carboxamide
CID 166402158
N-[4-methyl-3-(propanoylamino)phenyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 74245672
2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 109006570
(2R,6R)-N-(4-bromo-3-methylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 51944457

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide (CID 71840480) is N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide is CCC(=O)NCC1CCCN(C(=O)Nc2ccc(Br)c(C)c2)C1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The InChIKey is UYVSOZGMZBVZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-3-16(22)19-10-13-5-4-8-21(11-13)17(23)20-14-6-7-15(18)12(2)9-14/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71840480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).