[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

C19H28BrN3O2 — CID 2933825

IUPAC[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(Br)cc1CN1CCCC(C(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C19H28BrN3O2/c1-21-8-10-23(11-9-21)19(24)15-4-3-7-22(13-15)14-16-12-17(20)5-6-18(16)25-2/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3
InChIKeyUEMHXSNZQCJLMS-UHFFFAOYSA-N
MW410.36 g/mol
LogP2.44
Rot. Bonds4

About [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone

[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 2933825) has the molecular formula C19H28BrN3O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID2933825
Molecular FormulaC19H28BrN3O2
Molecular Weight410.36 g/mol
Exact Mass409.14
IUPAC Name[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(Br)cc1CN1CCCC(C(=O)N2CCN(C)CC2)C1
InChIInChI=1S/C19H28BrN3O2/c1-21-8-10-23(11-9-21)19(24)15-4-3-7-22(13-15)14-16-12-17(20)5-6-18(16)25-2/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3
InChIKeyUEMHXSNZQCJLMS-UHFFFAOYSA-N
XLogP2.44
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Related Compounds

(5s,7s)-2-(5-Bromo-2-methoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 665935
Ethyl 1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxylate
CID 2837920
1-{[1-(5-Bromo-2-methoxybenzyl)piperidin-3-yl]carbonyl}azepane
CID 2933276
N-benzyl-1-(2-methoxybenzyl)-N-methylpiperidine-3-carboxamide
CID 3237704
N-(5-bromo-2-methoxybenzyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3238665
N-(5-bromo-2-methoxybenzyl)-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3242655
1-[4-(5-Bromo-2-methoxy-benzyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 9549547
N-(5-bromo-2-methoxy-benzyl)-1-(4-methylpiperidino)sulfonyl-isonipecotamide
CID 9550712
1-(2-Methoxybenzyl)-5-(1,2-oxazinan-2-ylcarbonyl)-2-piperidinone
CID 24817626
N-[(5-bromo-2-methoxyphenyl)methyl]-1-cyclopentyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 16274150
N-[(5-bromo-2-methoxyphenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 4060872
(5s,7s)-2-(5-Bromo-2-methoxyphenyl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
CID 4903396

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 2933825) is [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(Br)cc1CN1CCCC(C(=O)N2CCN(C)CC2)C1.
What is the InChIKey of [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is UEMHXSNZQCJLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrN3O2/c1-21-8-10-23(11-9-21)19(24)15-4-3-7-22(13-15)14-16-12-17(20)5-6-18(16)25-2/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3.
What are the key properties of [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 410.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 2933825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).