(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

C18H23N3OS — CID 120731166

IUPAC(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCCCc1cc(C(=O)N2CCNCC2c2cccnc2)sc1C
InChIInChI=1S/C18H23N3OS/c1-3-5-14-10-17(23-13(14)2)18(22)21-9-8-20-12-16(21)15-6-4-7-19-11-15/h4,6-7,10-11,16,20H,3,5,8-9,12H2,1-2H3
InChIKeyWMWCLNLTSXTIQM-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.19
Rot. Bonds4

About (5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone

(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120731166) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120731166
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCCCc1cc(C(=O)N2CCNCC2c2cccnc2)sc1C
InChIInChI=1S/C18H23N3OS/c1-3-5-14-10-17(23-13(14)2)18(22)21-9-8-20-12-16(21)15-6-4-7-19-11-15/h4,6-7,10-11,16,20H,3,5,8-9,12H2,1-2H3
InChIKeyWMWCLNLTSXTIQM-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729251
(2-methyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729984
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(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
(4-bromothiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731046
(2-pyridin-3-ylpiperazin-1-yl)-thiophen-2-ylmethanone;hydrochloride
CID 120729292
[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728859
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
(1,5-dimethyltriazol-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120732429
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120731166) is (5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is CCCc1cc(C(=O)N2CCNCC2c2cccnc2)sc1C.
What is the InChIKey of (5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is WMWCLNLTSXTIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-5-14-10-17(23-13(14)2)18(22)21-9-8-20-12-16(21)15-6-4-7-19-11-15/h4,6-7,10-11,16,20H,3,5,8-9,12H2,1-2H3.
What are the key properties of (5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 329.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120731166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).