N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide

C14H23F3N2O — CID 131929382

IUPACN-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCCN(CCCC(F)(F)F)C1)C1CC1
InChIInChI=1S/C14H23F3N2O/c15-14(16,17)6-2-8-19-7-1-3-11(10-19)9-18-13(20)12-4-5-12/h11-12H,1-10H2,(H,18,20)
InChIKeyCGBVNNHNRBAJFH-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.57
Rot. Bonds6

About N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide

N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide (PubChem CID 131929382) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide
PubChem CID131929382
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC NameN-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCCN(CCCC(F)(F)F)C1)C1CC1
InChIInChI=1S/C14H23F3N2O/c15-14(16,17)6-2-8-19-7-1-3-11(10-19)9-18-13(20)12-4-5-12/h11-12H,1-10H2,(H,18,20)
InChIKeyCGBVNNHNRBAJFH-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide (CID 131929382) is N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide is O=C(NCC1CCCN(CCCC(F)(F)F)C1)C1CC1.
What is the InChIKey of N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide?
The InChIKey is CGBVNNHNRBAJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c15-14(16,17)6-2-8-19-7-1-3-11(10-19)9-18-13(20)12-4-5-12/h11-12H,1-10H2,(H,18,20).
What are the key properties of N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide?
N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 131929382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).