(3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone

C17H24BrNO2 — CID 50883206

IUPAC(3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCOc1c(Br)cc(C(C)C)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H24BrNO2/c1-11(2)13-9-14(16(21-4)15(18)10-13)17(20)19-7-5-12(3)6-8-19/h9-12H,5-8H2,1-4H3
InChIKeyBKSUVUBQIOHITP-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.45
Rot. Bonds3

About (3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone

(3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 50883206) has the molecular formula C17H24BrNO2 and a molecular weight of 354.29 g/mol. Its IUPAC name is (3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID50883206
Molecular FormulaC17H24BrNO2
Molecular Weight354.29 g/mol
Exact Mass353.10
IUPAC Name(3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone
SMILESCOc1c(Br)cc(C(C)C)cc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H24BrNO2/c1-11(2)13-9-14(16(21-4)15(18)10-13)17(20)19-7-5-12(3)6-8-19/h9-12H,5-8H2,1-4H3
InChIKeyBKSUVUBQIOHITP-UHFFFAOYSA-N
XLogP4.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701
(3-bromo-2-methoxy-5-methylphenyl)-pyrrolidin-1-ylmethanone
CID 50883166
(5-bromo-2-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 113241159
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
(4-methylpiperidin-1-yl)-(3,4,5-trimethoxy-2-nitrophenyl)methanone
CID 27669894
(3-bromo-2-methoxy-5-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 50882656
(4-ethylpiperazin-1-yl)-(2-methoxy-3-nitro-5-propan-2-ylphenyl)methanone
CID 50883209
(3-bromo-5-ethyl-2-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 50882665
(2-amino-4-bromo-5-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 114278145
6,7-dimethoxy-4-(4-methylpiperidine-1-carbonyl)-2-(2-methylpropyl)isoquinolin-1-one
CID 5322754
(4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone
CID 55949816
[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-bromo-5-methoxybenzoate
CID 7500336

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone (CID 50883206) is (3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone is COc1c(Br)cc(C(C)C)cc1C(=O)N1CCC(C)CC1.
What is the InChIKey of (3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is BKSUVUBQIOHITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO2/c1-11(2)13-9-14(16(21-4)15(18)10-13)17(20)19-7-5-12(3)6-8-19/h9-12H,5-8H2,1-4H3.
What are the key properties of (3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone?
(3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 354.29 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 50883206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).