3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

C14H19ClF3N3OS — CID 120813639

IUPAC3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESO=C(CCc1cc(Cl)cs1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C14H19ClF3N3OS/c15-10-7-11(23-9-10)1-2-13(22)20-8-12(14(16,17)18)21-5-3-19-4-6-21/h7,9,12,19H,1-6,8H2,(H,20,22)
InChIKeyORDCAQPHOBNFOT-UHFFFAOYSA-N
MW369.84 g/mol
LogP2.29
Rot. Bonds6

About 3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide

3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (PubChem CID 120813639) has the molecular formula C14H19ClF3N3OS and a molecular weight of 369.84 g/mol. Its IUPAC name is 3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
PubChem CID120813639
Molecular FormulaC14H19ClF3N3OS
Molecular Weight369.84 g/mol
Exact Mass369.09
IUPAC Name3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
SMILESO=C(CCc1cc(Cl)cs1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C14H19ClF3N3OS/c15-10-7-11(23-9-10)1-2-13(22)20-8-12(14(16,17)18)21-5-3-19-4-6-21/h7,9,12,19H,1-6,8H2,(H,20,22)
InChIKeyORDCAQPHOBNFOT-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorothiophen-2-yl)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 56792387
1-[1-[3-(5-Chlorothiophen-2-yl)propanoyl]piperidin-4-yl]imidazolidin-2-one
CID 56816844
1-[1-[3-(5-Chlorothiophen-2-yl)propanoyl]piperidin-3-yl]imidazolidin-2-one
CID 56821763
3-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]propanamide
CID 49072592
1-(4-Acetylpiperazin-1-yl)-3-(4-chlorothiophen-2-yl)propan-1-one
CID 53615884
3-(4-chlorothiophen-2-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 56792386
3-(5-chlorothiophen-2-yl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 120108706
tert-butyl N-[1-[2-amino-3-(5-chlorothiophen-2-yl)-3,3-difluoropropanoyl]piperidin-4-yl]carbamate
CID 135176070
3-(5-chlorothiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 49058955
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(5-methylthiophen-2-yl)acetamide
CID 49072277
4-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-oxobutanamide
CID 56217096
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78792921

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide (CID 120813639) is 3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is O=C(CCc1cc(Cl)cs1)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
The InChIKey is ORDCAQPHOBNFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF3N3OS/c15-10-7-11(23-9-10)1-2-13(22)20-8-12(14(16,17)18)21-5-3-19-4-6-21/h7,9,12,19H,1-6,8H2,(H,20,22).
What are the key properties of 3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide?
3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide has a molecular weight of 369.84 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorothiophen-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 120813639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).