2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

C12H22F3N3O — CID 115649942

IUPAC2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CCN(C)CC1C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H22F3N3O/c1-8-6-18(3)5-4-10(8)17-9(2)11(19)16-7-12(13,14)15/h8-10,17H,4-7H2,1-3H3,(H,16,19)
InChIKeyVKLVQYDPLZIYHR-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.98
Rot. Bonds4

About 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115649942) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115649942
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NC1CCN(C)CC1C)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H22F3N3O/c1-8-6-18(3)5-4-10(8)17-9(2)11(19)16-7-12(13,14)15/h8-10,17H,4-7H2,1-3H3,(H,16,19)
InChIKeyVKLVQYDPLZIYHR-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 115649935
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide
CID 115649947
ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 115649950
2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571393
(2R)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 95293289
3-methyl-4-(propylamino)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 114498803
methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate
CID 114503255
2-chloro-N-[(1,3-dimethylpiperidin-4-yl)carbamoyl]propanamide
CID 114505682
2-(2-cyclopropylpropan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 114110936
N-(1-methoxypropan-2-yl)-1,3-dimethylpiperidin-4-amine
CID 115664125
(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide
CID 103814191
2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713809

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide (CID 115649942) is 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NC1CCN(C)CC1C)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is VKLVQYDPLZIYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-8-6-18(3)5-4-10(8)17-9(2)11(19)16-7-12(13,14)15/h8-10,17H,4-7H2,1-3H3,(H,16,19).
What are the key properties of 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 281.32 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115649942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).