2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide

C14H19F3N4O — CID 56883883

IUPAC2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
SMILESCNCC(=O)NC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C14H19F3N4O/c1-18-8-13(22)20-11-3-2-6-21(9-11)12-5-4-10(7-19-12)14(15,16)17/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,20,22)
InChIKeyZKXNXDSZBLVCMD-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.40
Rot. Bonds4

About 2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide

2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide (PubChem CID 56883883) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
PubChem CID56883883
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
SMILESCNCC(=O)NC1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C14H19F3N4O/c1-18-8-13(22)20-11-3-2-6-21(9-11)12-5-4-10(7-19-12)14(15,16)17/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,20,22)
InChIKeyZKXNXDSZBLVCMD-UHFFFAOYSA-N
XLogP1.40
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide (CID 56883883) is 2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide is CNCC(=O)NC1CCCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide?
The InChIKey is ZKXNXDSZBLVCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-18-8-13(22)20-11-3-2-6-21(9-11)12-5-4-10(7-19-12)14(15,16)17/h4-5,7,11,18H,2-3,6,8-9H2,1H3,(H,20,22).
What are the key properties of 2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide?
2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide has a molecular weight of 316.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 56883883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).