[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone

C16H23N3O2S — CID 119689025

IUPAC[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESNCC1(C(=O)N2CCN(C(=O)c3cccs3)CC2)CCCC1
InChIInChI=1S/C16H23N3O2S/c17-12-16(5-1-2-6-16)15(21)19-9-7-18(8-10-19)14(20)13-4-3-11-22-13/h3-4,11H,1-2,5-10,12,17H2
InChIKeyQLKQPSCHIMUOQQ-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.55
Rot. Bonds3

About [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone

[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 119689025) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID119689025
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
SMILESNCC1(C(=O)N2CCN(C(=O)c3cccs3)CC2)CCCC1
InChIInChI=1S/C16H23N3O2S/c17-12-16(5-1-2-6-16)15(21)19-9-7-18(8-10-19)14(20)13-4-3-11-22-13/h3-4,11H,1-2,5-10,12,17H2
InChIKeyQLKQPSCHIMUOQQ-UHFFFAOYSA-N
XLogP1.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 63141844
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 104684820
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403

Frequently Asked Questions

What is the IUPAC name of [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 119689025) is [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone is NCC1(C(=O)N2CCN(C(=O)c3cccs3)CC2)CCCC1.
What is the InChIKey of [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is QLKQPSCHIMUOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c17-12-16(5-1-2-6-16)15(21)19-9-7-18(8-10-19)14(20)13-4-3-11-22-13/h3-4,11H,1-2,5-10,12,17H2.
What are the key properties of [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 321.45 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 119689025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).