[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

C15H21N3O2S — CID 63141844

IUPAC[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC1(C(=O)N2CCN(C(=O)c3cccs3)CC2)CCNC1
InChIInChI=1S/C15H21N3O2S/c1-15(4-5-16-11-15)14(20)18-8-6-17(7-9-18)13(19)12-3-2-10-21-12/h2-3,10,16H,4-9,11H2,1H3
InChIKeyCBQDVLDRGBEVHW-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.03
Rot. Bonds2

About [4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 63141844) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is [4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID63141844
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCC1(C(=O)N2CCN(C(=O)c3cccs3)CC2)CCNC1
InChIInChI=1S/C15H21N3O2S/c1-15(4-5-16-11-15)14(20)18-8-6-17(7-9-18)13(19)12-3-2-10-21-12/h2-3,10,16H,4-9,11H2,1H3
InChIKeyCBQDVLDRGBEVHW-UHFFFAOYSA-N
XLogP1.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
ethane;piperazin-1-yl(thiophen-2-yl)methanone
CID 142187928
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 119689025
[(5R)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 124554551
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
[4-(2-chlorophenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63138572
[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpyrrolidin-3-yl)methanone
CID 63141362
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-3-yl)methanone;dihydrochloride
CID 119826732

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 63141844) is [4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is CC1(C(=O)N2CCN(C(=O)c3cccs3)CC2)CCNC1.
What is the InChIKey of [4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is CBQDVLDRGBEVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-15(4-5-16-11-15)14(20)18-8-6-17(7-9-18)13(19)12-3-2-10-21-12/h2-3,10,16H,4-9,11H2,1H3.
What are the key properties of [4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 307.42 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 63141844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).