[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone

C15H23N3OS — CID 77085784

IUPAC[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(N3CCN(C)CC3)C2)s1
InChIInChI=1S/C15H23N3OS/c1-12-3-4-14(20-12)15(19)18-6-5-13(11-18)17-9-7-16(2)8-10-17/h3-4,13H,5-11H2,1-2H3
InChIKeyPOLHKLAJFBICMI-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.52
Rot. Bonds2

About [3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone

[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 77085784) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is [3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID77085784
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(N3CCN(C)CC3)C2)s1
InChIInChI=1S/C15H23N3OS/c1-12-3-4-14(20-12)15(19)18-6-5-13(11-18)17-9-7-16(2)8-10-17/h3-4,13H,5-11H2,1-2H3
InChIKeyPOLHKLAJFBICMI-UHFFFAOYSA-N
XLogP1.52
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 77085784) is [3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(N3CCN(C)CC3)C2)s1.
What is the InChIKey of [3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is POLHKLAJFBICMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-12-3-4-14(20-12)15(19)18-6-5-13(11-18)17-9-7-16(2)8-10-17/h3-4,13H,5-11H2,1-2H3.
What are the key properties of [3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 293.44 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 77085784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).