N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

C17H21F4N3O2 — CID 165432188

IUPACN-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(c2ccc(C(F)(F)F)nc2)CC1)C1CCOC1
InChIInChI=1S/C17H21F4N3O2/c18-16(11-23-15(25)12-3-8-26-10-12)4-6-24(7-5-16)13-1-2-14(22-9-13)17(19,20)21/h1-2,9,12H,3-8,10-11H2,(H,23,25)
InChIKeyHRTOGHNLAIQRBB-UHFFFAOYSA-N
MW375.37 g/mol
LogP2.56
Rot. Bonds4

About N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 165432188) has the molecular formula C17H21F4N3O2 and a molecular weight of 375.37 g/mol. Its IUPAC name is N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID165432188
Molecular FormulaC17H21F4N3O2
Molecular Weight375.37 g/mol
Exact Mass375.16
IUPAC NameN-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(c2ccc(C(F)(F)F)nc2)CC1)C1CCOC1
InChIInChI=1S/C17H21F4N3O2/c18-16(11-23-15(25)12-3-8-26-10-12)4-6-24(7-5-16)13-1-2-14(22-9-13)17(19,20)21/h1-2,9,12H,3-8,10-11H2,(H,23,25)
InChIKeyHRTOGHNLAIQRBB-UHFFFAOYSA-N
XLogP2.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 165431838
N-[[1-(5-bromopyrimidin-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165432283
N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
CID 171992729
N-[[4-fluoro-1-(9-methylpurin-6-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166601069
N-[[1-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165433346
4-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
CID 146140419
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
CID 86850853
N-[[4-fluoro-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600641
N-[[4-fluoro-1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600864
N-[[4-fluoro-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600643
N-[[4-fluoro-1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 166600992
[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanol
CID 169180436

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 165432188) is N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is O=C(NCC1(F)CCN(c2ccc(C(F)(F)F)nc2)CC1)C1CCOC1.
What is the InChIKey of N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is HRTOGHNLAIQRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F4N3O2/c18-16(11-23-15(25)12-3-8-26-10-12)4-6-24(7-5-16)13-1-2-14(22-9-13)17(19,20)21/h1-2,9,12H,3-8,10-11H2,(H,23,25).
What are the key properties of N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 375.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 165432188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).