N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C19H28F3N3O2 — CID 55659068

IUPACN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC1CCN(C(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C(C)C)CC1
InChIInChI=1S/C19H28F3N3O2/c1-13(2)16(24-8-6-14(3)7-9-24)10-23-17(26)12-25-11-15(19(20,21)22)4-5-18(25)27/h4-5,11,13-14,16H,6-10,12H2,1-3H3,(H,23,26)
InChIKeyPQQFJZWNXRDZAX-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.74
Rot. Bonds6

About N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 55659068) has the molecular formula C19H28F3N3O2 and a molecular weight of 387.45 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID55659068
Molecular FormulaC19H28F3N3O2
Molecular Weight387.45 g/mol
Exact Mass387.21
IUPAC NameN-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC1CCN(C(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C(C)C)CC1
InChIInChI=1S/C19H28F3N3O2/c1-13(2)16(24-8-6-14(3)7-9-24)10-23-17(26)12-25-11-15(19(20,21)22)4-5-18(25)27/h4-5,11,13-14,16H,6-10,12H2,1-3H3,(H,23,26)
InChIKeyPQQFJZWNXRDZAX-UHFFFAOYSA-N
XLogP2.74
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 55659068) is N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC1CCN(C(CNC(=O)Cn2cc(C(F)(F)F)ccc2=O)C(C)C)CC1.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is PQQFJZWNXRDZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O2/c1-13(2)16(24-8-6-14(3)7-9-24)10-23-17(26)12-25-11-15(19(20,21)22)4-5-18(25)27/h4-5,11,13-14,16H,6-10,12H2,1-3H3,(H,23,26).
What are the key properties of N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 387.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 55659068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).