(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C15H23N3OS — CID 102778531

IUPAC(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCC1CCNC1C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C15H23N3OS/c1-12-2-4-16-14(12)15(19)18-7-5-17(6-8-18)10-13-3-9-20-11-13/h3,9,11-12,14,16H,2,4-8,10H2,1H3
InChIKeyIMNRQPWRDBNODL-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.39
Rot. Bonds3

About (3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 102778531) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID102778531
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCC1CCNC1C(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C15H23N3OS/c1-12-2-4-16-14(12)15(19)18-7-5-17(6-8-18)10-13-3-9-20-11-13/h3,9,11-12,14,16H,2,4-8,10H2,1H3
InChIKeyIMNRQPWRDBNODL-UHFFFAOYSA-N
XLogP1.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
CID 102776845
(3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 102778824
[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 47030913
(3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66008131
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
(4-methylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63122301
(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 85176427
[4-(methylamino)oxolan-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66265218
2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]sulfanylacetic acid
CID 104569508
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 54869915
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486
2-[4-(hydroxymethyl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 110899410

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 102778531) is (3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is CC1CCNC1C(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of (3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is IMNRQPWRDBNODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-12-2-4-16-14(12)15(19)18-7-5-17(6-8-18)10-13-3-9-20-11-13/h3,9,11-12,14,16H,2,4-8,10H2,1H3.
What are the key properties of (3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 293.44 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 102778531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).