(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C20H29N3OS — CID 87054484

IUPAC(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1
InChIInChI=1S/C20H29N3OS/c1-15(2)12-21-7-9-22(10-8-21)20(24)18-11-16-13-23(14-19(16)25-18)17-5-3-4-6-17/h11,13-15,17H,3-10,12H2,1-2H3
InChIKeyRWUYDIHWRHNCDN-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.23
Rot. Bonds4

About (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 87054484) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID87054484
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1
InChIInChI=1S/C20H29N3OS/c1-15(2)12-21-7-9-22(10-8-21)20(24)18-11-16-13-23(14-19(16)25-18)17-5-3-4-6-17/h11,13-15,17H,3-10,12H2,1-2H3
InChIKeyRWUYDIHWRHNCDN-UHFFFAOYSA-N
XLogP4.23
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 87054484) is (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2cc3cn(C4CCCC4)cc3s2)CC1.
What is the InChIKey of (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is RWUYDIHWRHNCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-15(2)12-21-7-9-22(10-8-21)20(24)18-11-16-13-23(14-19(16)25-18)17-5-3-4-6-17/h11,13-15,17H,3-10,12H2,1-2H3.
What are the key properties of (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 359.54 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 87054484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).