2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone

C14H23F3N2O — CID 71858831

IUPAC2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CN(CCC(F)(F)F)C1CCC1)N1CCCCC1
InChIInChI=1S/C14H23F3N2O/c15-14(16,17)7-10-19(12-5-4-6-12)11-13(20)18-8-2-1-3-9-18/h12H,1-11H2
InChIKeyCWOWVHINZGIJTO-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.81
Rot. Bonds5

About 2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone

2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone (PubChem CID 71858831) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone
PubChem CID71858831
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CN(CCC(F)(F)F)C1CCC1)N1CCCCC1
InChIInChI=1S/C14H23F3N2O/c15-14(16,17)7-10-19(12-5-4-6-12)11-13(20)18-8-2-1-3-9-18/h12H,1-11H2
InChIKeyCWOWVHINZGIJTO-UHFFFAOYSA-N
XLogP2.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone
CID 43319620
1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone
CID 75434558
2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
CID 54945212
2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
CID 78843214
2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide
CID 60801064
1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 64850618
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid
CID 122508236
2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 102875219
2-[(4-aminocyclohexyl)-ethylamino]-1-piperidin-1-ylethanone
CID 79115964
2-[cyclopentyl(3,3,3-trifluoropropyl)amino]ethanol
CID 64567596

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone (CID 71858831) is 2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone is O=C(CN(CCC(F)(F)F)C1CCC1)N1CCCCC1.
What is the InChIKey of 2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is CWOWVHINZGIJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c15-14(16,17)7-10-19(12-5-4-6-12)11-13(20)18-8-2-1-3-9-18/h12H,1-11H2.
What are the key properties of 2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone?
2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 292.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 71858831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).