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

C19H26F2N2O2 — CID 172900866

IUPACN-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
SMILESCN(CC1CCN(Cc2cc(F)cc(F)c2)CC1)C(=O)C1CCOC1
InChIInChI=1S/C19H26F2N2O2/c1-22(19(24)16-4-7-25-13-16)11-14-2-5-23(6-3-14)12-15-8-17(20)10-18(21)9-15/h8-10,14,16H,2-7,11-13H2,1H3
InChIKeyYEIRCVXUBLMHHJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.67
Rot. Bonds5

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

N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide (PubChem CID 172900866) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
PubChem CID172900866
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC NameN-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
SMILESCN(CC1CCN(Cc2cc(F)cc(F)c2)CC1)C(=O)C1CCOC1
InChIInChI=1S/C19H26F2N2O2/c1-22(19(24)16-4-7-25-13-16)11-14-2-5-23(6-3-14)12-15-8-17(20)10-18(21)9-15/h8-10,14,16H,2-7,11-13H2,1H3
InChIKeyYEIRCVXUBLMHHJ-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-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide (CID 172900866) is N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide is CN(CC1CCN(Cc2cc(F)cc(F)c2)CC1)C(=O)C1CCOC1.
What is the InChIKey of N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide?
The InChIKey is YEIRCVXUBLMHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c1-22(19(24)16-4-7-25-13-16)11-14-2-5-23(6-3-14)12-15-8-17(20)10-18(21)9-15/h8-10,14,16H,2-7,11-13H2,1H3.
What are the key properties of N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide?
N-[[1-[(3,5-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-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 172900866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).