N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide

C18H23BrN2O2 — CID 113007435

IUPACN-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C3CCC3)CC2)cc1Br
InChIInChI=1S/C18H23BrN2O2/c1-12-5-6-15(11-16(12)19)20-17(22)13-7-9-21(10-8-13)18(23)14-3-2-4-14/h5-6,11,13-14H,2-4,7-10H2,1H3,(H,20,22)
InChIKeyCTEQTTRUXOYMMJ-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.73
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide

N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide (PubChem CID 113007435) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
PubChem CID113007435
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC NameN-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)C3CCC3)CC2)cc1Br
InChIInChI=1S/C18H23BrN2O2/c1-12-5-6-15(11-16(12)19)20-17(22)13-7-9-21(10-8-13)18(23)14-3-2-4-14/h5-6,11,13-14H,2-4,7-10H2,1H3,(H,20,22)
InChIKeyCTEQTTRUXOYMMJ-UHFFFAOYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 55201939
N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113019263
4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 109147715
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146300
N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclohexanecarboxamide
CID 1013445
N-[4-[[(3-bromo-4-methylbenzoyl)amino]carbamoyl]phenyl]cyclopropanecarboxamide
CID 4509550
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147440
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007421

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide (CID 113007435) is N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)C3CCC3)CC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide?
The InChIKey is CTEQTTRUXOYMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-12-5-6-15(11-16(12)19)20-17(22)13-7-9-21(10-8-13)18(23)14-3-2-4-14/h5-6,11,13-14H,2-4,7-10H2,1H3,(H,20,22).
What are the key properties of N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide?
N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide has a molecular weight of 379.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).