(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride

C14H16ClN3OS — CID 120729292

IUPAC(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccs1)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H15N3OS.ClH/c18-14(13-4-2-8-19-13)17-7-6-16-10-12(17)11-3-1-5-15-9-11;/h1-5,8-9,12,16H,6-7,10H2;1H
InChIKeyIZJCESIRLLXMEJ-UHFFFAOYSA-N
MW309.82 g/mol
LogP2.35
Rot. Bonds2

About (2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride

(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride (PubChem CID 120729292) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is (2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
PubChem CID120729292
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1cccs1)N1CCNCC1c1cccnc1
InChIInChI=1S/C14H15N3OS.ClH/c18-14(13-4-2-8-19-13)17-7-6-16-10-12(17)11-3-1-5-15-9-11;/h1-5,8-9,12,16H,6-7,10H2;1H
InChIKeyIZJCESIRLLXMEJ-UHFFFAOYSA-N
XLogP2.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromothiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731046
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(5-chloropyrimidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729438
(3-aminopyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732345
(2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride
CID 120730755
[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730307
1-(2-pyridin-3-ylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 120730142
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545
(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

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride?
The IUPAC name of (2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride (CID 120729292) is (2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride.
What is the SMILES notation for (2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride?
The canonical SMILES for (2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride is Cl.O=C(c1cccs1)N1CCNCC1c1cccnc1.
What is the InChIKey of (2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride?
The InChIKey is IZJCESIRLLXMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS.ClH/c18-14(13-4-2-8-19-13)17-7-6-16-10-12(17)11-3-1-5-15-9-11;/h1-5,8-9,12,16H,6-7,10H2;1H.
What are the key properties of (2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride?
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride has a molecular weight of 309.82 g/mol, XLogP of 2.35, 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)-thiophen-2-ylmethanone;hydrochloride is sourced from PubChem (CID 120729292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).