N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide

C21H30F3N3OS — CID 118432792

IUPACN-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
SMILESCc1sc(C2CC2NC2CCN(CC(F)(F)F)CC2)cc1C(=O)NC1CCCC1
InChIInChI=1S/C21H30F3N3OS/c1-13-16(20(28)26-14-4-2-3-5-14)11-19(29-13)17-10-18(17)25-15-6-8-27(9-7-15)12-21(22,23)24/h11,14-15,17-18,25H,2-10,12H2,1H3,(H,26,28)
InChIKeyRBCYIASIIUHFPS-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.20
Rot. Bonds6

About N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide

N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide (PubChem CID 118432792) has the molecular formula C21H30F3N3OS and a molecular weight of 429.55 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
PubChem CID118432792
Molecular FormulaC21H30F3N3OS
Molecular Weight429.55 g/mol
Exact Mass429.21
IUPAC NameN-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
SMILESCc1sc(C2CC2NC2CCN(CC(F)(F)F)CC2)cc1C(=O)NC1CCCC1
InChIInChI=1S/C21H30F3N3OS/c1-13-16(20(28)26-14-4-2-3-5-14)11-19(29-13)17-10-18(17)25-15-6-8-27(9-7-15)12-21(22,23)24/h11,14-15,17-18,25H,2-10,12H2,1H3,(H,26,28)
InChIKeyRBCYIASIIUHFPS-UHFFFAOYSA-N
XLogP4.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide with MolForge

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Related Compounds

Thiophene derivative, 3d
CID 15984018
Thiophene derivative, 3e
CID 25023798
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
4-fluoro-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3235762
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-2-fluorobenzamide
CID 3236467
1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9268465
N-(1-benzylpiperidin-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24980059
N-[1-(3,3-dimethylbutyl)piperidin-4-yl]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44527068
US9776991, Example 76
CID 118112582
5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-N-(1-(2,2,2-trifluoroethyl)-piperidin-4-yl)thiophene-3-carboxamide
CID 118432638
N-(4,4-difluorocyclohexyl)-5-[2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 118432650
N-(4,4-difluorocyclohexyl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118432653

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide (CID 118432792) is N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide is Cc1sc(C2CC2NC2CCN(CC(F)(F)F)CC2)cc1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
The InChIKey is RBCYIASIIUHFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N3OS/c1-13-16(20(28)26-14-4-2-3-5-14)11-19(29-13)17-10-18(17)25-15-6-8-27(9-7-15)12-21(22,23)24/h11,14-15,17-18,25H,2-10,12H2,1H3,(H,26,28).
What are the key properties of N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 118432792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).