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

C19H25N3OS — CID 120729251

IUPAC(4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCCCc1sc(C(=O)N2CCNCC2c2cccnc2)cc1CC
InChIInChI=1S/C19H25N3OS/c1-3-6-17-14(4-2)11-18(24-17)19(23)22-10-9-21-13-16(22)15-7-5-8-20-12-15/h5,7-8,11-12,16,21H,3-4,6,9-10,13H2,1-2H3
InChIKeyKCUFATJTNZWIAX-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.44
Rot. Bonds5

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

(4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (PubChem CID 120729251) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is (4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
PubChem CID120729251
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name(4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
SMILESCCCc1sc(C(=O)N2CCNCC2c2cccnc2)cc1CC
InChIInChI=1S/C19H25N3OS/c1-3-6-17-14(4-2)11-18(24-17)19(23)22-10-9-21-13-16(22)15-7-5-8-20-12-15/h5,7-8,11-12,16,21H,3-4,6,9-10,13H2,1-2H3
InChIKeyKCUFATJTNZWIAX-UHFFFAOYSA-N
XLogP3.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-4-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731166
(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-(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-pyridin-3-ylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanone;hydrochloride
CID 120730755
[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
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
N-[3-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]propanamide
CID 120731082

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone (CID 120729251) is (4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is CCCc1sc(C(=O)N2CCNCC2c2cccnc2)cc1CC.
What is the InChIKey of (4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
The InChIKey is KCUFATJTNZWIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-3-6-17-14(4-2)11-18(24-17)19(23)22-10-9-21-13-16(22)15-7-5-8-20-12-15/h5,7-8,11-12,16,21H,3-4,6,9-10,13H2,1-2H3.
What are the key properties of (4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone?
(4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone has a molecular weight of 343.50 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-propylthiophen-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 120729251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).