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

C15H21N3O2S — CID 64823608

IUPAC(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
SMILESNC1CCCC1C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C15H21N3O2S/c16-13-3-1-2-12(13)15(20)18-7-5-17(6-8-18)14(19)11-4-9-21-10-11/h4,9-10,12-13H,1-3,5-8,16H2
InChIKeyDBTQPPOCETXQMW-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.16
Rot. Bonds2

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

(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 64823608) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
PubChem CID64823608
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
SMILESNC1CCCC1C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C15H21N3O2S/c16-13-3-1-2-12(13)15(20)18-7-5-17(6-8-18)14(19)11-4-9-21-10-11/h4,9-10,12-13H,1-3,5-8,16H2
InChIKeyDBTQPPOCETXQMW-UHFFFAOYSA-N
XLogP1.16
TPSA66.64 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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 66238264
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
(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
(2-aminocyclohexyl)-thiophen-3-ylmethanone
CID 116579819
(2-aminocycloheptyl)-thiophen-3-ylmethanone
CID 116595140
[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119298898
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
(3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 102778824
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120789025
1-[4-(2-aminocyclopentanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399085

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone (CID 64823608) is (2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone is NC1CCCC1C(=O)N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of (2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is DBTQPPOCETXQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-13-3-1-2-12(13)15(20)18-7-5-17(6-8-18)14(19)11-4-9-21-10-11/h4,9-10,12-13H,1-3,5-8,16H2.
What are the key properties of (2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 307.42 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 64823608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).