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

C19H27F3N4O2 — CID 86873796

IUPACN-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN1CCC(N2CCC(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)CC2)CC1
InChIInChI=1S/C19H27F3N4O2/c1-24-8-6-16(7-9-24)25-10-4-15(5-11-25)23-17(27)13-26-12-14(19(20,21)22)2-3-18(26)28/h2-3,12,15-16H,4-11,13H2,1H3,(H,23,27)
InChIKeyWZPNOSFZYOQCNZ-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.54
Rot. Bonds4

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

N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 86873796) has the molecular formula C19H27F3N4O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID86873796
Molecular FormulaC19H27F3N4O2
Molecular Weight400.45 g/mol
Exact Mass400.21
IUPAC NameN-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCN1CCC(N2CCC(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)CC2)CC1
InChIInChI=1S/C19H27F3N4O2/c1-24-8-6-16(7-9-24)25-10-4-15(5-11-25)23-17(27)13-26-12-14(19(20,21)22)2-3-18(26)28/h2-3,12,15-16H,4-11,13H2,1H3,(H,23,27)
InChIKeyWZPNOSFZYOQCNZ-UHFFFAOYSA-N
XLogP1.54
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 86873796) is N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CN1CCC(N2CCC(NC(=O)Cn3cc(C(F)(F)F)ccc3=O)CC2)CC1.
What is the InChIKey of N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is WZPNOSFZYOQCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O2/c1-24-8-6-16(7-9-24)25-10-4-15(5-11-25)23-17(27)13-26-12-14(19(20,21)22)2-3-18(26)28/h2-3,12,15-16H,4-11,13H2,1H3,(H,23,27).
What are the key properties of N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 400.45 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 86873796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).