(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone

C12H17N3OS — CID 119894758

IUPAC(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
SMILESNC1(C(=O)N2CCN(c3cccs3)CC2)CC1
InChIInChI=1S/C12H17N3OS/c13-12(3-4-12)11(16)15-7-5-14(6-8-15)10-2-1-9-17-10/h1-2,9H,3-8,13H2
InChIKeyMCXQZQXCLINFDS-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.89
Rot. Bonds2

About (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone

(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone (PubChem CID 119894758) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
PubChem CID119894758
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
SMILESNC1(C(=O)N2CCN(c3cccs3)CC2)CC1
InChIInChI=1S/C12H17N3OS/c13-12(3-4-12)11(16)15-7-5-14(6-8-15)10-2-1-9-17-10/h1-2,9H,3-8,13H2
InChIKeyMCXQZQXCLINFDS-UHFFFAOYSA-N
XLogP0.89
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119894757
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438
(1-methylsulfonylcyclobutyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 136538916
4-amino-1-(4-thiophen-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119894828
(3-aminocyclopentyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119894779
(1-aminocyclohexyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24691325
(1-aminocyclobutyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 81179571
(1-aminocyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 60865819
1-(4-thiophen-2-ylpiperazin-1-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]ethanone
CID 136548773
(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 126793221
4-[(4-thiophen-2-ylpiperazine-1-carbonyl)amino]butanoic acid
CID 122022218
(1-aminocyclohexyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 39058439

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone (CID 119894758) is (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone is NC1(C(=O)N2CCN(c3cccs3)CC2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone?
The InChIKey is MCXQZQXCLINFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-12(3-4-12)11(16)15-7-5-14(6-8-15)10-2-1-9-17-10/h1-2,9H,3-8,13H2.
What are the key properties of (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone?
(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone has a molecular weight of 251.35 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 119894758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).