3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid

C16H22N2O3S — CID 156608361

IUPAC3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCN(Cc3cccs3)CC2)C1
InChIInChI=1S/C16H22N2O3S/c19-15(12-3-4-13(10-12)16(20)21)18-7-5-17(6-8-18)11-14-2-1-9-22-14/h1-2,9,12-13H,3-8,10-11H2,(H,20,21)
InChIKeyKVSXIOJSMVJZBC-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.89
Rot. Bonds4

About 3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid

3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 156608361) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID156608361
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCN(Cc3cccs3)CC2)C1
InChIInChI=1S/C16H22N2O3S/c19-15(12-3-4-13(10-12)16(20)21)18-7-5-17(6-8-18)11-14-2-1-9-22-14/h1-2,9,12-13H,3-8,10-11H2,(H,20,21)
InChIKeyKVSXIOJSMVJZBC-UHFFFAOYSA-N
XLogP1.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid 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

(2-methylcyclopropyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801873
2-[4-(thiophen-2-ylmethyl)-1,4-diazepane-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60949286
2,2-dimethyl-1-[4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 78802784
4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 78982831
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
(2-hydroxycyclopentyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 110015109
(2-phenylcyclopropyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 56819682
(4-methylpiperidin-2-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 114423308
pyrrolidin-3-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 63006136
piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60937029
[4-(thiophen-2-ylmethyl)piperazin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 30124703
2-sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 146037585

Frequently Asked Questions

What is the IUPAC name of 3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 156608361) is 3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCN(Cc3cccs3)CC2)C1.
What is the InChIKey of 3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is KVSXIOJSMVJZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-15(12-3-4-13(10-12)16(20)21)18-7-5-17(6-8-18)11-14-2-1-9-22-14/h1-2,9,12-13H,3-8,10-11H2,(H,20,21).
What are the key properties of 3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid?
3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 322.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 156608361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).