cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone

C18H21N3O2S — CID 52910253

IUPACcyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cccn1Cc1cccs1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H21N3O2S/c22-17(14-5-6-14)19-8-10-20(11-9-19)18(23)16-4-1-7-21(16)13-15-3-2-12-24-15/h1-4,7,12,14H,5-6,8-11,13H2
InChIKeyRMZUOTXWSMBCMW-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.29
Rot. Bonds4

About cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone

cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone (PubChem CID 52910253) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone
PubChem CID52910253
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Namecyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone
SMILESO=C(c1cccn1Cc1cccs1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H21N3O2S/c22-17(14-5-6-14)19-8-10-20(11-9-19)18(23)16-4-1-7-21(16)13-15-3-2-12-24-15/h1-4,7,12,14H,5-6,8-11,13H2
InChIKeyRMZUOTXWSMBCMW-UHFFFAOYSA-N
XLogP2.29
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone (CID 52910253) is cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone is O=C(c1cccn1Cc1cccs1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone?
The InChIKey is RMZUOTXWSMBCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(14-5-6-14)19-8-10-20(11-9-19)18(23)16-4-1-7-21(16)13-15-3-2-12-24-15/h1-4,7,12,14H,5-6,8-11,13H2.
What are the key properties of cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone has a molecular weight of 343.45 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 52910253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).