formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide

C15H21F3N2O4 — CID 154912021

IUPACformic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide
SMILESO=C(NCC1CCCN(CCC(F)(F)F)C1)c1ccoc1.O=CO
InChIInChI=1S/C14H19F3N2O2.CH2O2/c15-14(16,17)4-6-19-5-1-2-11(9-19)8-18-13(20)12-3-7-21-10-12;2-1-3/h3,7,10-11H,1-2,4-6,8-9H2,(H,18,20);1H,(H,2,3)
InChIKeyDIFRAIOHDGTQPN-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.37
Rot. Bonds5

About formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide

formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide (PubChem CID 154912021) has the molecular formula C15H21F3N2O4 and a molecular weight of 350.34 g/mol. Its IUPAC name is formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide
PubChem CID154912021
Molecular FormulaC15H21F3N2O4
Molecular Weight350.34 g/mol
Exact Mass350.15
IUPAC Nameformic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide
SMILESO=C(NCC1CCCN(CCC(F)(F)F)C1)c1ccoc1.O=CO
InChIInChI=1S/C14H19F3N2O2.CH2O2/c15-14(16,17)4-6-19-5-1-2-11(9-19)8-18-13(20)12-3-7-21-10-12;2-1-3/h3,7,10-11H,1-2,4-6,8-9H2,(H,18,20);1H,(H,2,3)
InChIKeyDIFRAIOHDGTQPN-UHFFFAOYSA-N
XLogP2.37
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 131937285
N-[2-(cyclopentylmethylamino)-2-oxoethyl]furan-3-carboxamide
CID 38304482
N-[[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]furan-3-carboxamide
CID 131939771
N-[[1-(2H-triazole-4-carbonyl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 131912720
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42195132
N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 131929382
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
CID 42285901
2,3-dimethyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]benzamide
CID 122159096
N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 119044503
N-[2-[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethyl]pyrimidine-4-carboxamide
CID 95193158
N-[2-[(3R)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]ethyl]pyrimidine-4-carboxamide
CID 95193160

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide (CID 154912021) is formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide is O=C(NCC1CCCN(CCC(F)(F)F)C1)c1ccoc1.O=CO.
What is the InChIKey of formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is DIFRAIOHDGTQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2.CH2O2/c15-14(16,17)4-6-19-5-1-2-11(9-19)8-18-13(20)12-3-7-21-10-12;2-1-3/h3,7,10-11H,1-2,4-6,8-9H2,(H,18,20);1H,(H,2,3).
What are the key properties of formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide?
formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 154912021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).