(2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride

C19H24ClN3OS — CID 120730755

IUPAC(2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1cc2c(s1)CCCCC2)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H23N3OS.ClH/c23-19(18-11-14-5-2-1-3-7-17(14)24-18)22-10-9-21-13-16(22)15-6-4-8-20-12-15;/h4,6,8,11-12,16,21H,1-3,5,7,9-10,13H2;1H
InChIKeyGSBYKTRIDZXGPP-UHFFFAOYSA-N
MW377.94 g/mol
LogP3.62
Rot. Bonds2

About (2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride

(2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride (PubChem CID 120730755) has the molecular formula C19H24ClN3OS and a molecular weight of 377.94 g/mol. Its IUPAC name is (2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride
PubChem CID120730755
Molecular FormulaC19H24ClN3OS
Molecular Weight377.94 g/mol
Exact Mass377.13
IUPAC Name(2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride
SMILESCl.O=C(c1cc2c(s1)CCCCC2)N1CCNCC1c1cccnc1
InChIInChI=1S/C19H23N3OS.ClH/c23-19(18-11-14-5-2-1-3-7-17(14)24-18)22-10-9-21-13-16(22)15-6-4-8-20-12-15;/h4,6,8,11-12,16,21H,1-3,5,7,9-10,13H2;1H
InChIKeyGSBYKTRIDZXGPP-UHFFFAOYSA-N
XLogP3.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride with MolForge

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Related Compounds

(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
3-(2-pyridin-3-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one;hydrochloride
CID 120728924
(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731166
(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
(4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729251
[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120730307
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
(2-pyridin-3-ylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 120730091
(2,4-difluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729758
(5-methylfuran-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120732206
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride?
The IUPAC name of (2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride (CID 120730755) is (2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for (2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for (2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride is Cl.O=C(c1cc2c(s1)CCCCC2)N1CCNCC1c1cccnc1.
What is the InChIKey of (2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride?
The InChIKey is GSBYKTRIDZXGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS.ClH/c23-19(18-11-14-5-2-1-3-7-17(14)24-18)22-10-9-21-13-16(22)15-6-4-8-20-12-15;/h4,6,8,11-12,16,21H,1-3,5,7,9-10,13H2;1H.
What are the key properties of (2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride?
(2-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 3.62, 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)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120730755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).