[4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone

C15H23BrN4O2 — CID 120932337

IUPAC[4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone
SMILESNCC1(C(=O)N2CCC(n3cc(Br)cn3)CC2)CCOCC1
InChIInChI=1S/C15H23BrN4O2/c16-12-9-18-20(10-12)13-1-5-19(6-2-13)14(21)15(11-17)3-7-22-8-4-15/h9-10,13H,1-8,11,17H2
InChIKeyQBGMYOOHHAWBAX-UHFFFAOYSA-N
MW371.28 g/mol
LogP1.56
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone

[4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 120932337) has the molecular formula C15H23BrN4O2 and a molecular weight of 371.28 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID120932337
Molecular FormulaC15H23BrN4O2
Molecular Weight371.28 g/mol
Exact Mass370.10
IUPAC Name[4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone
SMILESNCC1(C(=O)N2CCC(n3cc(Br)cn3)CC2)CCOCC1
InChIInChI=1S/C15H23BrN4O2/c16-12-9-18-20(10-12)13-1-5-19(6-2-13)14(21)15(11-17)3-7-22-8-4-15/h9-10,13H,1-8,11,17H2
InChIKeyQBGMYOOHHAWBAX-UHFFFAOYSA-N
XLogP1.56
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

4-(4-bromopyrazol-1-yl)piperidine-1-carboxylic acid
CID 67027237
3-(4-bromopyrazol-1-yl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 126946761
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 62367937
1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120939525
[4-(aminomethyl)oxan-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624832
[1-(aminomethyl)cyclopropyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 115452907
[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 120939311
(2S)-2-amino-1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119782602
[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 126946803
3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 120924733
[4-(aminomethyl)oxan-4-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 120930210

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone (CID 120932337) is [4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone is NCC1(C(=O)N2CCC(n3cc(Br)cn3)CC2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is QBGMYOOHHAWBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O2/c16-12-9-18-20(10-12)13-1-5-19(6-2-13)14(21)15(11-17)3-7-22-8-4-15/h9-10,13H,1-8,11,17H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone?
[4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 371.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 120932337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).