2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide

C19H27F3N2O — CID 119823787

IUPAC2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCCN(C(=O)C(C)Cc1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C19H27F3N2O/c1-3-12-24(17-8-10-23-11-9-17)18(25)14(2)13-15-4-6-16(7-5-15)19(20,21)22/h4-7,14,17,23H,3,8-13H2,1-2H3
InChIKeyANPOEOOQRILCSI-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.87
Rot. Bonds6

About 2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide

2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 119823787) has the molecular formula C19H27F3N2O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID119823787
Molecular FormulaC19H27F3N2O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCCN(C(=O)C(C)Cc1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C19H27F3N2O/c1-3-12-24(17-8-10-23-11-9-17)18(25)14(2)13-15-4-6-16(7-5-15)19(20,21)22/h4-7,14,17,23H,3,8-13H2,1-2H3
InChIKeyANPOEOOQRILCSI-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide (CID 119823787) is 2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide is CCCN(C(=O)C(C)Cc1ccc(C(F)(F)F)cc1)C1CCNCC1.
What is the InChIKey of 2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is ANPOEOOQRILCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O/c1-3-12-24(17-8-10-23-11-9-17)18(25)14(2)13-15-4-6-16(7-5-15)19(20,21)22/h4-7,14,17,23H,3,8-13H2,1-2H3.
What are the key properties of 2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide?
2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 356.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 119823787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).