(3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C15H23N3OS — CID 66008131

IUPAC(3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCN(Cc3ccsc3)CC2)C1
InChIInChI=1S/C15H23N3OS/c16-14-2-1-13(9-14)15(19)18-6-4-17(5-7-18)10-12-3-8-20-11-12/h3,8,11,13-14H,1-2,4-7,9-10,16H2
InChIKeyMBETYFYBULITMU-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.52
Rot. Bonds3

About (3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 66008131) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID66008131
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name(3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCN(Cc3ccsc3)CC2)C1
InChIInChI=1S/C15H23N3OS/c16-14-2-1-13(9-14)15(19)18-6-4-17(5-7-18)10-12-3-8-20-11-12/h3,8,11,13-14H,1-2,4-7,9-10,16H2
InChIKeyMBETYFYBULITMU-UHFFFAOYSA-N
XLogP1.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 47030913
(3-aminocyclopentyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738833
(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 102778531
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
2,2,3,3-tetrafluoro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 103732222
2-[4-(hydroxymethyl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 110899410
(3-aminocyclopentyl)-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119832897
[(1S,3R)-3-aminocyclopentyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 124696345
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 31383525
(3-aminocyclohexyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119896247
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 66008131) is (3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is NC1CCC(C(=O)N2CCN(Cc3ccsc3)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is MBETYFYBULITMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c16-14-2-1-13(9-14)15(19)18-6-4-17(5-7-18)10-12-3-8-20-11-12/h3,8,11,13-14H,1-2,4-7,9-10,16H2.
What are the key properties of (3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 293.44 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66008131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).