3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

C18H26F2N2O2 — CID 78876057

IUPAC3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCCCN1CCNC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H26F2N2O2/c1-14-4-2-3-12-22(14)13-11-21-17(23)10-7-15-5-8-16(9-6-15)24-18(19)20/h5-6,8-9,14,18H,2-4,7,10-13H2,1H3,(H,21,23)
InChIKeyHSVDACXBGUAKRP-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.21
Rot. Bonds8

About 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide

3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 78876057) has the molecular formula C18H26F2N2O2 and a molecular weight of 340.41 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID78876057
Molecular FormulaC18H26F2N2O2
Molecular Weight340.41 g/mol
Exact Mass340.20
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCCCN1CCNC(=O)CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C18H26F2N2O2/c1-14-4-2-3-12-22(14)13-11-21-17(23)10-7-15-5-8-16(9-6-15)24-18(19)20/h5-6,8-9,14,18H,2-4,7,10-13H2,1H3,(H,21,23)
InChIKeyHSVDACXBGUAKRP-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide
CID 47036264
N-[4-(difluoromethoxy)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 4818615
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111171361
3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 15996431
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
3-cyclopentyl-1-[4-[3-[4-(difluoromethoxy)phenyl]propanoyl]piperazin-1-yl]propan-1-one
CID 78851506
3-(1H-benzimidazol-2-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 51081190
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18116822
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(difluoromethoxy)phenyl]propan-1-one;hydrochloride
CID 119436726
3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide
CID 120574157
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(4-ethoxyphenyl)propanamide
CID 86944687

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide (CID 78876057) is 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is CC1CCCCN1CCNC(=O)CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is HSVDACXBGUAKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2/c1-14-4-2-3-12-22(14)13-11-21-17(23)10-7-15-5-8-16(9-6-15)24-18(19)20/h5-6,8-9,14,18H,2-4,7,10-13H2,1H3,(H,21,23).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide?
3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 340.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 78876057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).