(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C19H25N3OS — CID 17406052

IUPAC(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccsc3)CC2)c(C)n1C1CC1
InChIInChI=1S/C19H25N3OS/c1-14-11-18(15(2)22(14)17-3-4-17)19(23)21-8-6-20(7-9-21)12-16-5-10-24-13-16/h5,10-11,13,17H,3-4,6-9,12H2,1-2H3
InChIKeyWDXWSDFRXVLOEL-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.46
Rot. Bonds4

About (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 17406052) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID17406052
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccsc3)CC2)c(C)n1C1CC1
InChIInChI=1S/C19H25N3OS/c1-14-11-18(15(2)22(14)17-3-4-17)19(23)21-8-6-20(7-9-21)12-16-5-10-24-13-16/h5,10-11,13,17H,3-4,6-9,12H2,1-2H3
InChIKeyWDXWSDFRXVLOEL-UHFFFAOYSA-N
XLogP3.46
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 17406052) is (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(Cc3ccsc3)CC2)c(C)n1C1CC1.
What is the InChIKey of (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is WDXWSDFRXVLOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-14-11-18(15(2)22(14)17-3-4-17)19(23)21-8-6-20(7-9-21)12-16-5-10-24-13-16/h5,10-11,13,17H,3-4,6-9,12H2,1-2H3.
What are the key properties of (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 343.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17406052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).