2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C12H21F3N2O — CID 54936282

IUPAC2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCCC(C)NCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-3-9(2)16-7-11(18)17-6-4-5-10(8-17)12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyYZYMQNPMMJYIDW-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.18
Rot. Bonds4

About 2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 54936282) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID54936282
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESCCC(C)NCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-3-9(2)16-7-11(18)17-6-4-5-10(8-17)12(13,14)15/h9-10,16H,3-8H2,1-2H3
InChIKeyYZYMQNPMMJYIDW-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[[(3S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide
CID 57341633
2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide
CID 57343683
(3R,6R)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 12206395
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
Cyclo-(L-Val-L-Leu)
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(S)-3-Isobutylpiperazin-2-one
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CID 44566899

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 54936282) is 2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is CCC(C)NCC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is YZYMQNPMMJYIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-3-9(2)16-7-11(18)17-6-4-5-10(8-17)12(13,14)15/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 266.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 54936282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).