[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone

C15H21N3O2S — CID 119745421

IUPAC[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CCNC3)CC2)s1
InChIInChI=1S/C15H21N3O2S/c1-11-2-3-13(21-11)15(20)18-8-6-17(7-9-18)14(19)12-4-5-16-10-12/h2-3,12,16H,4-10H2,1H3
InChIKeyPXWJPQNGQKKGEB-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.95
Rot. Bonds2

About [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone

[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 119745421) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID119745421
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CCNC3)CC2)s1
InChIInChI=1S/C15H21N3O2S/c1-11-2-3-13(21-11)15(20)18-8-6-17(7-9-18)14(19)12-4-5-16-10-12/h2-3,12,16H,4-10H2,1H3
InChIKeyPXWJPQNGQKKGEB-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119745413
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119745412
5-methyl-N-[1-(piperidine-3-carbonyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119309715
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119755849
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55976108
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119771196
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119745380
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone (CID 119745421) is [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone is Cc1ccc(C(=O)N2CCN(C(=O)C3CCNC3)CC2)s1.
What is the InChIKey of [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is PXWJPQNGQKKGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-2-3-13(21-11)15(20)18-8-6-17(7-9-18)14(19)12-4-5-16-10-12/h2-3,12,16H,4-10H2,1H3.
What are the key properties of [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone?
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 307.42 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119745421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).