3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide

C16H22F2N2O2 — CID 120574157

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC1NCCCC1NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H22F2N2O2/c1-11-14(3-2-10-19-11)20-15(21)9-6-12-4-7-13(8-5-12)22-16(17)18/h4-5,7-8,11,14,16,19H,2-3,6,9-10H2,1H3,(H,20,21)
InChIKeyWAWZHFXDNSZWLI-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.48
Rot. Bonds6

About 3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide

3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120574157) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120574157
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC1NCCCC1NC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H22F2N2O2/c1-11-14(3-2-10-19-11)20-15(21)9-6-12-4-7-13(8-5-12)22-16(17)18/h4-5,7-8,11,14,16,19H,2-3,6,9-10H2,1H3,(H,20,21)
InChIKeyWAWZHFXDNSZWLI-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide (CID 120574157) is 3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide is CC1NCCCC1NC(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is WAWZHFXDNSZWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-11-14(3-2-10-19-11)20-15(21)9-6-12-4-7-13(8-5-12)22-16(17)18/h4-5,7-8,11,14,16,19H,2-3,6,9-10H2,1H3,(H,20,21).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide?
3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 312.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide is sourced from PubChem (CID 120574157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).