1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one

C15H23F3N2O2 — CID 145286850

IUPAC1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(=O)N2CCCCC2)(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O2/c1-2-12(21)19-10-6-14(7-11-19,15(16,17)18)13(22)20-8-4-3-5-9-20/h2-11H2,1H3
InChIKeyBUHGMZRCZYGZTO-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.58
Rot. Bonds2

About 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one

1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one (PubChem CID 145286850) has the molecular formula C15H23F3N2O2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
PubChem CID145286850
Molecular FormulaC15H23F3N2O2
Molecular Weight320.36 g/mol
Exact Mass320.17
IUPAC Name1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C(=O)N2CCCCC2)(C(F)(F)F)CC1
InChIInChI=1S/C15H23F3N2O2/c1-2-12(21)19-10-6-14(7-11-19,15(16,17)18)13(22)20-8-4-3-5-9-20/h2-11H2,1H3
InChIKeyBUHGMZRCZYGZTO-UHFFFAOYSA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(Piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 60634762
(5S)-2,9-dimethyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97406882
1,4-Dimethyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495669
4-Ethyl-1-methyl-9-(3,3,3-trifluoropropanoyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495686
1-[4-(4-Methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110686014
(5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124522483
1-[(5R)-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 125182142
2,2,3,3-Tetrafluoro-1,4-bis(3-methylpiperidin-1-yl)butane-1,4-dione
CID 2933321
3-(4,4,4-Trifluorobutanoyl)-3,9-diazaspiro[5.5]undecane
CID 56878074
(5R)-9-acetyl-2-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 127021232
1-Methyl-4-[3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-2-one
CID 128926278
1-(4,4-Difluoropiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 58394601

Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one (CID 145286850) is 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(C(=O)N2CCCCC2)(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
The InChIKey is BUHGMZRCZYGZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O2/c1-2-12(21)19-10-6-14(7-11-19,15(16,17)18)13(22)20-8-4-3-5-9-20/h2-11H2,1H3.
What are the key properties of 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one?
1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one has a molecular weight of 320.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidine-1-carbonyl)-4-(trifluoromethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 145286850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).