1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide

C14H17BrN2O2 — CID 104851796

IUPAC1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1cc(Br)cc(C(=O)N2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C14H17BrN2O2/c1-9-5-11(7-12(15)6-9)14(19)17-4-2-3-10(8-17)13(16)18/h5-7,10H,2-4,8H2,1H3,(H2,16,18)
InChIKeyDIRKOJDNHDODFU-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.10
Rot. Bonds2

About 1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide

1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 104851796) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide
PubChem CID104851796
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1cc(Br)cc(C(=O)N2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C14H17BrN2O2/c1-9-5-11(7-12(15)6-9)14(19)17-4-2-3-10(8-17)13(16)18/h5-7,10H,2-4,8H2,1H3,(H2,16,18)
InChIKeyDIRKOJDNHDODFU-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3S)-1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxylate
CID 104853374
1-(3-bromo-5-methylbenzoyl)piperidine-4-carbothioamide
CID 104851586
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
methyl 1-(3-bromo-5-methylbenzoyl)pyrrolidine-3-carboxylate
CID 104852881
1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide
CID 82832980
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813
(3-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 104852380
[2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 3,5-dimethylbenzoate
CID 9229141
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55792197
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
CID 79714737

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide (CID 104851796) is 1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide is Cc1cc(Br)cc(C(=O)N2CCCC(C(N)=O)C2)c1.
What is the InChIKey of 1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is DIRKOJDNHDODFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9-5-11(7-12(15)6-9)14(19)17-4-2-3-10(8-17)13(16)18/h5-7,10H,2-4,8H2,1H3,(H2,16,18).
What are the key properties of 1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide?
1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 325.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 104851796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).