3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C12H22F3N3O — CID 114498803

IUPAC3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCCCNC1CCN(C(=O)NCC(F)(F)F)CC1C
InChIInChI=1S/C12H22F3N3O/c1-3-5-16-10-4-6-18(7-9(10)2)11(19)17-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3,(H,17,19)
InChIKeyNSJQANWMINZLCR-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.97
Rot. Bonds4

About 3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 114498803) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID114498803
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCCCNC1CCN(C(=O)NCC(F)(F)F)CC1C
InChIInChI=1S/C12H22F3N3O/c1-3-5-16-10-4-6-18(7-9(10)2)11(19)17-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3,(H,17,19)
InChIKeyNSJQANWMINZLCR-UHFFFAOYSA-N
XLogP1.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 113462923
2-cyclopentyl-1-[3-methyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114498667
[3-methyl-4-(propylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114498726
[3-methyl-4-(propylamino)piperidin-1-yl]-phenylmethanone
CID 114498596
3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115663003
(3-methyloxolan-2-yl)-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498603
N-ethyl-3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498760
(2-fluoro-4-methylphenyl)-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498661
1-[4-(ethylamino)-3-methylpiperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205304
7-bicyclo[4.2.0]octa-1,3,5-trienyl-[3-methyl-4-(propylamino)piperidin-1-yl]methanone
CID 114498711
4-tert-butyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 58394886
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115649942

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 114498803) is 3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CCCNC1CCN(C(=O)NCC(F)(F)F)CC1C.
What is the InChIKey of 3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is NSJQANWMINZLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-3-5-16-10-4-6-18(7-9(10)2)11(19)17-8-12(13,14)15/h9-10,16H,3-8H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 114498803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).