N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide

C20H28F2N2O2 — CID 91906118

IUPACN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C20H28F2N2O2/c1-2-20(25)24(19-5-9-26-10-6-19)18-3-7-23(8-4-18)14-15-11-16(21)13-17(22)12-15/h11-13,18-19H,2-10,14H2,1H3
InChIKeyLIZWEQYIJYTGAP-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.35
Rot. Bonds5

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

N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide (PubChem CID 91906118) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide
PubChem CID91906118
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC NameN-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide
SMILESCCC(=O)N(C1CCOCC1)C1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C20H28F2N2O2/c1-2-20(25)24(19-5-9-26-10-6-19)18-3-7-23(8-4-18)14-15-11-16(21)13-17(22)12-15/h11-13,18-19H,2-10,14H2,1H3
InChIKeyLIZWEQYIJYTGAP-UHFFFAOYSA-N
XLogP3.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.35
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]-N-(oxan-4-yl)propanamide?
The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide (CID 91906118) is N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide?
The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide is CCC(=O)N(C1CCOCC1)C1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide?
The InChIKey is LIZWEQYIJYTGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c1-2-20(25)24(19-5-9-26-10-6-19)18-3-7-23(8-4-18)14-15-11-16(21)13-17(22)12-15/h11-13,18-19H,2-10,14H2,1H3.
What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide?
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)propanamide has a molecular weight of 366.45 g/mol, XLogP of 3.35, 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]-N-(oxan-4-yl)propanamide is sourced from PubChem (CID 91906118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).