1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H25F3N2O2 — CID 102562479

IUPAC1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(CCCC2CCOC2)C1
InChIInChI=1S/C15H25F3N2O2/c16-15(17,18)11-19-14(21)13-4-2-7-20(9-13)6-1-3-12-5-8-22-10-12/h12-13H,1-11H2,(H,19,21)
InChIKeyAKAFXLJLZMQQAF-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.19
Rot. Bonds6

About 1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 102562479) has the molecular formula C15H25F3N2O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID102562479
Molecular FormulaC15H25F3N2O2
Molecular Weight322.37 g/mol
Exact Mass322.19
IUPAC Name1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(CCCC2CCOC2)C1
InChIInChI=1S/C15H25F3N2O2/c16-15(17,18)11-19-14(21)13-4-2-7-20(9-13)6-1-3-12-5-8-22-10-12/h12-13H,1-11H2,(H,19,21)
InChIKeyAKAFXLJLZMQQAF-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[3-[(3R)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99792010
(3R)-1-[3-[(3R)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99792011
(3R)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99858430
(3S)-1-[2-[(2S)-oxolan-2-yl]ethyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 99858431
(3R)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100616393
(3S)-1-[3-[(3S)-oxolan-3-yl]propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100616412
3-[3-(2,2,2-Trifluoroethoxy)propyl]piperidin-2-one
CID 104679109
2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide
CID 108934940
N-(oxolan-2-ylmethyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344193
N-(3-amino-2,2-difluoropropyl)-2-(oxan-4-yl)acetamide
CID 120408338
N-(3-amino-2,2-difluoropropyl)-3-(oxolan-3-yl)propanamide;hydrochloride
CID 120410557
N-(3-amino-2,2-difluoropropyl)-3-(oxolan-3-yl)propanamide
CID 120410558

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 102562479) is 1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(CCCC2CCOC2)C1.
What is the InChIKey of 1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is AKAFXLJLZMQQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O2/c16-15(17,18)11-19-14(21)13-4-2-7-20(9-13)6-1-3-12-5-8-22-10-12/h12-13H,1-11H2,(H,19,21).
What are the key properties of 1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-3-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 102562479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).