1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide

C17H23BrN2O2 — CID 39594396

IUPAC1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C17H23BrN2O2/c1-17(2,3)19-15(21)12-8-10-20(11-9-12)16(22)13-6-4-5-7-14(13)18/h4-7,12H,8-11H2,1-3H3,(H,19,21)
InChIKeyXUAXGUYOAWUREU-UHFFFAOYSA-N
MW367.29 g/mol
LogP3.22
Rot. Bonds2

About 1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide

1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide (PubChem CID 39594396) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is 1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide
PubChem CID39594396
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C17H23BrN2O2/c1-17(2,3)19-15(21)12-8-10-20(11-9-12)16(22)13-6-4-5-7-14(13)18/h4-7,12H,8-11H2,1-3H3,(H,19,21)
InChIKeyXUAXGUYOAWUREU-UHFFFAOYSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
tert-butyl 4-[[(2-bromobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 29264674
1-(2-bromobenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952652
1-[4-(2-bromobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817935
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005882
1-acetyl-N-tert-butylpiperidine-4-carboxamide
CID 17148671
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
(2-bromophenyl)-[4-(1-cyclopropylethyl)piperazin-1-yl]methanone
CID 110708761
N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60767390

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide (CID 39594396) is 1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide is CC(C)(C)NC(=O)C1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of 1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide?
The InChIKey is XUAXGUYOAWUREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-17(2,3)19-15(21)12-8-10-20(11-9-12)16(22)13-6-4-5-7-14(13)18/h4-7,12H,8-11H2,1-3H3,(H,19,21).
What are the key properties of 1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide?
1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide has a molecular weight of 367.29 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide is sourced from PubChem (CID 39594396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).