(4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone

C17H21N3OS — CID 56820691

IUPAC(4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
SMILESO=C(c1cccn1Cc1cccs1)N1CCN(C2CC2)CC1
InChIInChI=1S/C17H21N3OS/c21-17(19-10-8-18(9-11-19)14-5-6-14)16-4-1-7-20(16)13-15-3-2-12-22-15/h1-4,7,12,14H,5-6,8-11,13H2
InChIKeyCVUXIVKLYGWFHT-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.52
Rot. Bonds4

About (4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone

(4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone (PubChem CID 56820691) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
PubChem CID56820691
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
SMILESO=C(c1cccn1Cc1cccs1)N1CCN(C2CC2)CC1
InChIInChI=1S/C17H21N3OS/c21-17(19-10-8-18(9-11-19)14-5-6-14)16-4-1-7-20(16)13-15-3-2-12-22-15/h1-4,7,12,14H,5-6,8-11,13H2
InChIKeyCVUXIVKLYGWFHT-UHFFFAOYSA-N
XLogP2.52
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone (CID 56820691) is (4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone is O=C(c1cccn1Cc1cccs1)N1CCN(C2CC2)CC1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone?
The InChIKey is CVUXIVKLYGWFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-17(19-10-8-18(9-11-19)14-5-6-14)16-4-1-7-20(16)13-15-3-2-12-22-15/h1-4,7,12,14H,5-6,8-11,13H2.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone?
(4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone has a molecular weight of 315.44 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 56820691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).