1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide

C20H28F3N3O2 — CID 162369129

IUPAC1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide
SMILESCOCCC1(C(=O)NCCN2CCC(c3cccc(C(F)(F)F)n3)CC2)CC1
InChIInChI=1S/C20H28F3N3O2/c1-28-14-9-19(7-8-19)18(27)24-10-13-26-11-5-15(6-12-26)16-3-2-4-17(25-16)20(21,22)23/h2-4,15H,5-14H2,1H3,(H,24,27)
InChIKeyOUSGTICEPNMNCZ-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.21
Rot. Bonds8

About 1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide

1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 162369129) has the molecular formula C20H28F3N3O2 and a molecular weight of 399.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID162369129
Molecular FormulaC20H28F3N3O2
Molecular Weight399.46 g/mol
Exact Mass399.21
IUPAC Name1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide
SMILESCOCCC1(C(=O)NCCN2CCC(c3cccc(C(F)(F)F)n3)CC2)CC1
InChIInChI=1S/C20H28F3N3O2/c1-28-14-9-19(7-8-19)18(27)24-10-13-26-11-5-15(6-12-26)16-3-2-4-17(25-16)20(21,22)23/h2-4,15H,5-14H2,1H3,(H,24,27)
InChIKeyOUSGTICEPNMNCZ-UHFFFAOYSA-N
XLogP3.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide (CID 162369129) is 1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide is COCCC1(C(=O)NCCN2CCC(c3cccc(C(F)(F)F)n3)CC2)CC1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is OUSGTICEPNMNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O2/c1-28-14-9-19(7-8-19)18(27)24-10-13-26-11-5-15(6-12-26)16-3-2-4-17(25-16)20(21,22)23/h2-4,15H,5-14H2,1H3,(H,24,27).
What are the key properties of 1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide?
1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 162369129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).