(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C17H26F3N3O2 — CID 25380569

IUPAC(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C17H26F3N3O2/c18-17(19,20)11-21-15(24)13-2-1-7-23(10-13)14-5-8-22(9-6-14)16(25)12-3-4-12/h12-14H,1-11H2,(H,21,24)/t13-/m1/s1
InChIKeyYGBZPUUWYZAYHL-CYBMUJFWSA-N
MW361.41 g/mol
LogP1.78
Rot. Bonds4

About (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 25380569) has the molecular formula C17H26F3N3O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID25380569
Molecular FormulaC17H26F3N3O2
Molecular Weight361.41 g/mol
Exact Mass361.20
IUPAC Name(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1
InChIInChI=1S/C17H26F3N3O2/c18-17(19,20)11-21-15(24)13-2-1-7-23(10-13)14-5-8-22(9-6-14)16(25)12-3-4-12/h12-14H,1-11H2,(H,21,24)/t13-/m1/s1
InChIKeyYGBZPUUWYZAYHL-CYBMUJFWSA-N
XLogP1.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-1-cyclopropyl-6-oxo-3-piperidinecarboxamide
CID 24791779
1-cyclopentyl-6-oxo-N-(2,2,2-trifluoroethyl)-3-piperidinecarboxamide
CID 45240538
N-cyclopropyl-1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4050955
N~3~-cyclopropyl-1-propionyl-3-piperidinecarboxamide
CID 53015063
1'-(cyclopropylcarbonyl)-N-(2,2,2-trifluoroethyl)-1,4'-bipiperidine-3-carboxamide
CID 45203001
(3S)-N-cyclopropyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 97015840
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(2,2-difluorocyclopropyl)methanone
CID 44222915
1-(2-Oxopiperidin-3-yl)-3-(trifluoromethyl)piperidin-2-one
CID 67034642
Piperidin-3-yl-[2-(trifluoromethyl)piperidin-1-yl]methanone
CID 69173389
(3-Fluoropiperidin-1-yl)(piperidin-3-yl)methanone
CID 69185737
3-(Cyclopropylcarbamoyl)piperidinium 2,2,2-trifluoroacetate
CID 86654896
5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 140792818

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 25380569) is (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)[C@@H]1CCCN(C2CCN(C(=O)C3CC3)CC2)C1.
What is the InChIKey of (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is YGBZPUUWYZAYHL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26F3N3O2/c18-17(19,20)11-21-15(24)13-2-1-7-23(10-13)14-5-8-22(9-6-14)16(25)12-3-4-12/h12-14H,1-11H2,(H,21,24)/t13-/m1/s1.
What are the key properties of (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 25380569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).