trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide

C16H21F3N2OS — CID 124612232

IUPACtrans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2OS/c1-10-4-7-23-14(10)12-8-13(12)15(22)20-11-2-5-21(6-3-11)9-16(17,18)19/h4,7,11-13H,2-3,5-6,8-9H2,1H3,(H,20,22)/t12-,13-/m1/s1
InChIKeySNDWVTHSEFUWOP-CHWSQXEVSA-N
MW346.42 g/mol
LogP3.30
Rot. Bonds4

About trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 124612232) has the molecular formula C16H21F3N2OS and a molecular weight of 346.42 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide
PubChem CID124612232
Molecular FormulaC16H21F3N2OS
Molecular Weight346.42 g/mol
Exact Mass346.13
IUPAC Nametrans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide
SMILESCc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2OS/c1-10-4-7-23-14(10)12-8-13(12)15(22)20-11-2-5-21(6-3-11)9-16(17,18)19/h4,7,11-13H,2-3,5-6,8-9H2,1H3,(H,20,22)/t12-,13-/m1/s1
InChIKeySNDWVTHSEFUWOP-CHWSQXEVSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 124731893
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434516
2-amino-2-phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 122084249
cis-(1R,2S)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-2-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 95589019
(3S,5R)-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 138626372
1-(1-benzylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48953524
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 154737523
2-methyl-N-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]propanamide
CID 166529361
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
trans-(1S,2S)-2-(3-methylthiophen-2-yl)-N-pyridin-2-yl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 124591810
3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide
CID 118304412
3-[[2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzamide
CID 139011850

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide (CID 124612232) is trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide is Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is SNDWVTHSEFUWOP-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H21F3N2OS/c1-10-4-7-23-14(10)12-8-13(12)15(22)20-11-2-5-21(6-3-11)9-16(17,18)19/h4,7,11-13H,2-3,5-6,8-9H2,1H3,(H,20,22)/t12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methylthiophen-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124612232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).