[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone

C19H27BrN2O2 — CID 3373405

IUPAC[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Br)cc1CN1CCCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C19H27BrN2O2/c1-24-18-8-7-17(20)12-16(18)14-21-9-5-6-15(13-21)19(23)22-10-3-2-4-11-22/h7-8,12,15H,2-6,9-11,13-14H2,1H3
InChIKeyPOCCWDXEMQOTQF-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.68
Rot. Bonds4

About [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone

[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 3373405) has the molecular formula C19H27BrN2O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID3373405
Molecular FormulaC19H27BrN2O2
Molecular Weight395.34 g/mol
Exact Mass394.13
IUPAC Name[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(Br)cc1CN1CCCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C19H27BrN2O2/c1-24-18-8-7-17(20)12-16(18)14-21-9-5-6-15(13-21)19(23)22-10-3-2-4-11-22/h7-8,12,15H,2-6,9-11,13-14H2,1H3
InChIKeyPOCCWDXEMQOTQF-UHFFFAOYSA-N
XLogP3.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone (CID 3373405) is [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone is COc1ccc(Br)cc1CN1CCCC(C(=O)N2CCCCC2)C1.
What is the InChIKey of [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is POCCWDXEMQOTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2/c1-24-18-8-7-17(20)12-16(18)14-21-9-5-6-15(13-21)19(23)22-10-3-2-4-11-22/h7-8,12,15H,2-6,9-11,13-14H2,1H3.
What are the key properties of [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone?
[1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 395.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 3373405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).