N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide

C19H26F2N2O2 — CID 172900865

IUPACN-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
SMILESCN(CC1CCN(Cc2cc(F)ccc2F)CC1)C(=O)C1CCOC1
InChIInChI=1S/C19H26F2N2O2/c1-22(19(24)15-6-9-25-13-15)11-14-4-7-23(8-5-14)12-16-10-17(20)2-3-18(16)21/h2-3,10,14-15H,4-9,11-13H2,1H3
InChIKeyMTJOAXOBPVFQCX-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.67
Rot. Bonds5

About N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide

N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide (PubChem CID 172900865) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
PubChem CID172900865
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC NameN-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
SMILESCN(CC1CCN(Cc2cc(F)ccc2F)CC1)C(=O)C1CCOC1
InChIInChI=1S/C19H26F2N2O2/c1-22(19(24)15-6-9-25-13-15)11-14-4-7-23(8-5-14)12-16-10-17(20)2-3-18(16)21/h2-3,10,14-15H,4-9,11-13H2,1H3
InChIKeyMTJOAXOBPVFQCX-UHFFFAOYSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide (CID 172900865) is N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide is CN(CC1CCN(Cc2cc(F)ccc2F)CC1)C(=O)C1CCOC1.
What is the InChIKey of N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide?
The InChIKey is MTJOAXOBPVFQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c1-22(19(24)15-6-9-25-13-15)11-14-4-7-23(8-5-14)12-16-10-17(20)2-3-18(16)21/h2-3,10,14-15H,4-9,11-13H2,1H3.
What are the key properties of N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide?
N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 172900865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).