1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide

C10H18F3N3O — CID 43753070

IUPAC1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide
SMILESNCCC(N1CCCC(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)8(3-4-14)16-5-1-2-7(6-16)9(15)17/h7-8H,1-6,14H2,(H2,15,17)
InChIKeyAPHDWYCHUNVNTD-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.46
Rot. Bonds4

About 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide

1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide (PubChem CID 43753070) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide
PubChem CID43753070
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide
SMILESNCCC(N1CCCC(C(N)=O)C1)C(F)(F)F
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)8(3-4-14)16-5-1-2-7(6-16)9(15)17/h7-8H,1-6,14H2,(H2,15,17)
InChIKeyAPHDWYCHUNVNTD-UHFFFAOYSA-N
XLogP0.46
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
methyl 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-4-carboxylate
CID 63382675
1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63902043
3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 83824790
1-(3-amino-1,1,1-trifluoropropan-2-yl)pyrrolidine-2-carboxamide
CID 43752688
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662
3-(3,4-dimethylpiperazin-1-yl)-4,4,4-trifluorobutan-1-amine
CID 63603154
1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
CID 55017302
3-(4,4-dimethylazepan-1-yl)-4,4,4-trifluorobutan-1-amine
CID 65283826
1-(3-amino-1,1,1-trifluoropentan-2-yl)pyrrolidine-3-carboxamide
CID 114081754
CID 88930738
CID 88930738
1-[2-[3-(trifluoromethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 56811023

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide (CID 43753070) is 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide is NCCC(N1CCCC(C(N)=O)C1)C(F)(F)F.
What is the InChIKey of 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide?
The InChIKey is APHDWYCHUNVNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)8(3-4-14)16-5-1-2-7(6-16)9(15)17/h7-8H,1-6,14H2,(H2,15,17).
What are the key properties of 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide?
1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1,1,1-trifluorobutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43753070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).