oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

C15H22ClN3O2 — CID 120729798

IUPACoxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCCCO1)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H21N3O2.ClH/c19-15(14-5-1-2-9-20-14)18-8-7-17-11-13(18)12-4-3-6-16-10-12;/h3-4,6,10,13-14,17H,1-2,5,7-9,11H2;1H
InChIKeyWWRSQSQCCIMTJV-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.55
Rot. Bonds2

About oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride

oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120729798) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Nameoxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120729798
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Nameoxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCCCO1)N1CCNCC1c1cccnc1
InChIInChI=1S/C15H21N3O2.ClH/c19-15(14-5-1-2-9-20-14)18-8-7-17-11-13(18)12-4-3-6-16-10-12;/h3-4,6,10,13-14,17H,1-2,5,7-9,11H2;1H
InChIKeyWWRSQSQCCIMTJV-UHFFFAOYSA-N
XLogP1.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride
CID 120730417
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone
CID 120730942
2-(oxan-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120729998
1-(oxan-2-ylmethylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120763498
4-cyclohexyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120729739
N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide
CID 120731000
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
(3-chloro-4-pyridinyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730350
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758

Frequently Asked Questions

What is the IUPAC name of oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride (CID 120729798) is oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is Cl.O=C(C1CCCCO1)N1CCNCC1c1cccnc1.
What is the InChIKey of oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is WWRSQSQCCIMTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c19-15(14-5-1-2-9-20-14)18-8-7-17-11-13(18)12-4-3-6-16-10-12;/h3-4,6,10,13-14,17H,1-2,5,7-9,11H2;1H.
What are the key properties of oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride?
oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120729798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).