(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C14H20BrN3O — CID 62953905

IUPAC(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H20BrN3O/c1-11(2)10-17-5-7-18(8-6-17)14(19)13-4-3-12(15)9-16-13/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyQYCDUIIIUDOZJG-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.26
Rot. Bonds3

About (5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 62953905) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID62953905
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccc(Br)cn2)CC1
InChIInChI=1S/C14H20BrN3O/c1-11(2)10-17-5-7-18(8-6-17)14(19)13-4-3-12(15)9-16-13/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyQYCDUIIIUDOZJG-UHFFFAOYSA-N
XLogP2.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 104641158
(5-bromo-2-pyridinyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62952392
2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 63336421
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 80666142
(2-amino-5-bromo-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62776114
(2,5-dibromophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114371674
(5-bromo-2-pyridinyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62954265
(5-bromo-2-pyridinyl)-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone
CID 68626889
2-[4-(5-bromopyridine-2-carbonyl)piperazin-1-yl]-2-methylpropanenitrile
CID 63337357
8-azaspiro[4.5]decan-8-yl-(5-bromo-2-pyridinyl)methanone
CID 63161313
(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63979723
(5-bromo-2-pyridinyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646070

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 62953905) is (5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2ccc(Br)cn2)CC1.
What is the InChIKey of (5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is QYCDUIIIUDOZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-11(2)10-17-5-7-18(8-6-17)14(19)13-4-3-12(15)9-16-13/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of (5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 326.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 62953905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).