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

C14H20ClN3OS — CID 120730417

IUPAC(2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCCS1)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H19N3OS.ClH/c18-14(13-4-2-8-19-13)17-7-6-16-10-12(17)11-3-1-5-15-9-11;/h1,3,5,9,12-13,16H,2,4,6-8,10H2;1H
InChIKeyRNMOAHWDMXFKLC-UHFFFAOYSA-N
MW313.85 g/mol
LogP1.87
Rot. Bonds2

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

(2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride (PubChem CID 120730417) has the molecular formula C14H20ClN3OS and a molecular weight of 313.85 g/mol. Its IUPAC name is (2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride
PubChem CID120730417
Molecular FormulaC14H20ClN3OS
Molecular Weight313.85 g/mol
Exact Mass313.10
IUPAC Name(2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride
SMILESCl.O=C(C1CCCS1)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H19N3OS.ClH/c18-14(13-4-2-8-19-13)17-7-6-16-10-12(17)11-3-1-5-15-9-11;/h1,3,5,9,12-13,16H,2,4,6-8,10H2;1H
InChIKeyRNMOAHWDMXFKLC-UHFFFAOYSA-N
XLogP1.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dithian-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731635
[4-(1,3-dithian-2-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729661
oxan-2-yl-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729798
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
(4R)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-2-one
CID 120732061
(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
(2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone
CID 120730942
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438
3-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-1,3-thiazolidin-2-one
CID 120731146
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride?
The IUPAC name of (2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride (CID 120730417) is (2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride.
What is the SMILES notation for (2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride?
The canonical SMILES for (2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride is Cl.O=C(C1CCCS1)N1CCNCC1c1cccnc1.
What is the InChIKey of (2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride?
The InChIKey is RNMOAHWDMXFKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS.ClH/c18-14(13-4-2-8-19-13)17-7-6-16-10-12(17)11-3-1-5-15-9-11;/h1,3,5,9,12-13,16H,2,4,6-8,10H2;1H.
What are the key properties of (2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride?
(2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride has a molecular weight of 313.85 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-3-ylpiperazin-1-yl)-(thiolan-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120730417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).