2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone

C14H19BrN2O2 — CID 62401443

IUPAC2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone
SMILESCOc1ccc(Br)c(NCC(=O)N2CCCCC2)c1
InChIInChI=1S/C14H19BrN2O2/c1-19-11-5-6-12(15)13(9-11)16-10-14(18)17-7-3-2-4-8-17/h5-6,9,16H,2-4,7-8,10H2,1H3
InChIKeyPCYJVEIELLGRFV-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.88
Rot. Bonds4

About 2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone

2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone (PubChem CID 62401443) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone
PubChem CID62401443
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone
SMILESCOc1ccc(Br)c(NCC(=O)N2CCCCC2)c1
InChIInChI=1S/C14H19BrN2O2/c1-19-11-5-6-12(15)13(9-11)16-10-14(18)17-7-3-2-4-8-17/h5-6,9,16H,2-4,7-8,10H2,1H3
InChIKeyPCYJVEIELLGRFV-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-5-methoxyanilino)-1-pyrrolidin-1-ylethanone
CID 113405856
2-(2-bromo-5-methylanilino)-1-pyrrolidin-1-ylethanone
CID 82713605
N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264
2-(2-bromo-5-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 113319310
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28575998
3-(2-bromo-5-methoxyanilino)-2,2-dimethylpropanoic acid
CID 79624596
1-(azepan-1-yl)-2-(5-bromo-4-fluoro-2-methylanilino)ethanone
CID 103238791
3-[(2-bromo-5-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115751534
2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 28939346
2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
1-(azepan-1-yl)-2-(3-bromo-2-methylanilino)ethanone
CID 103721440
1-(azepan-1-yl)-2-(4-bromo-2-methylanilino)ethanone
CID 28572456

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone (CID 62401443) is 2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone is COc1ccc(Br)c(NCC(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone?
The InChIKey is PCYJVEIELLGRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-19-11-5-6-12(15)13(9-11)16-10-14(18)17-7-3-2-4-8-17/h5-6,9,16H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone?
2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone has a molecular weight of 327.22 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyanilino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 62401443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).