1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide

C14H17BrN2O2 — CID 80948959

IUPAC1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccc(Br)c(C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H17BrN2O2/c1-9-2-3-12(15)11(8-9)14(19)17-6-4-10(5-7-17)13(16)18/h2-3,8,10H,4-7H2,1H3,(H2,16,18)
InChIKeyFPGNACUMPYWCDE-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.10
Rot. Bonds2

About 1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide

1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 80948959) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide
PubChem CID80948959
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccc(Br)c(C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C14H17BrN2O2/c1-9-2-3-12(15)11(8-9)14(19)17-6-4-10(5-7-17)13(16)18/h2-3,8,10H,4-7H2,1H3,(H2,16,18)
InChIKeyFPGNACUMPYWCDE-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

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Related Compounds

1-(2-bromo-5-sulfanylbenzoyl)piperidine-4-carboxamide
CID 107020826
(2-bromo-5-methylphenyl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 81117231
(2-bromo-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81005616
(2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 81110133
(2-bromo-5-methylphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81002288
1-(2-amino-5-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081662
1-(2,5-dibromobenzoyl)pyrrolidine-3-carboxamide
CID 104919326
1-(2-bromo-5-methylbenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 81117704
(2-bromo-5-methylphenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82695761
4-bromo-3-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]benzenesulfonamide
CID 31827988
(2-bromo-5-methylphenyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 80974460
(2-bromo-5-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80953724

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide (CID 80948959) is 1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide is Cc1ccc(Br)c(C(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is FPGNACUMPYWCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9-2-3-12(15)11(8-9)14(19)17-6-4-10(5-7-17)13(16)18/h2-3,8,10H,4-7H2,1H3,(H2,16,18).
What are the key properties of 1-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide?
1-(2-bromo-5-methylbenzoyl)piperidine-4-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-(2-bromo-5-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 80948959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).