(3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone

C15H21N3O2S — CID 102778824

IUPAC(3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
SMILESCC1CCNC1C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C15H21N3O2S/c1-11-2-4-16-13(11)15(20)18-7-5-17(6-8-18)14(19)12-3-9-21-10-12/h3,9-11,13,16H,2,4-8H2,1H3
InChIKeyBWWGJBPXOVKWKX-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.03
Rot. Bonds2

About (3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone

(3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 102778824) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
PubChem CID102778824
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
SMILESCC1CCNC1C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C15H21N3O2S/c1-11-2-4-16-13(11)15(20)18-7-5-17(6-8-18)14(19)12-3-9-21-10-12/h3,9-11,13,16H,2,4-8H2,1H3
InChIKeyBWWGJBPXOVKWKX-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

Analyze (3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone 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

(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 102778531
[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119298898
(3-methylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 85176427
(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 64823608
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
[4-(piperidin-4-ylmethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 119930739
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
CID 120928066
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 120986770
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738835
(3-aminocyclopentyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738833
morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119738862

Frequently Asked Questions

What is the IUPAC name of (3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone (CID 102778824) is (3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone is CC1CCNC1C(=O)N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of (3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is BWWGJBPXOVKWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-2-4-16-13(11)15(20)18-7-5-17(6-8-18)14(19)12-3-9-21-10-12/h3,9-11,13,16H,2,4-8H2,1H3.
What are the key properties of (3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
(3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone 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 (3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 102778824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).