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

C19H26F3N3O2 — CID 155922399

IUPAC1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide
SMILESCOCC1(C(=O)NCCN2CCC(c3cccc(C(F)(F)F)n3)CC2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-27-13-18(7-8-18)17(26)23-9-12-25-10-5-14(6-11-25)15-3-2-4-16(24-15)19(20,21)22/h2-4,14H,5-13H2,1H3,(H,23,26)
InChIKeyNEDKIEZVBKFWHQ-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.82
Rot. Bonds7

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

1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide (PubChem CID 155922399) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide
PubChem CID155922399
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide
SMILESCOCC1(C(=O)NCCN2CCC(c3cccc(C(F)(F)F)n3)CC2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-27-13-18(7-8-18)17(26)23-9-12-25-10-5-14(6-11-25)15-3-2-4-16(24-15)19(20,21)22/h2-4,14H,5-13H2,1H3,(H,23,26)
InChIKeyNEDKIEZVBKFWHQ-UHFFFAOYSA-N
XLogP2.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide (CID 155922399) is 1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide is COCC1(C(=O)NCCN2CCC(c3cccc(C(F)(F)F)n3)CC2)CC1.
What is the InChIKey of 1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide?
The InChIKey is NEDKIEZVBKFWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-27-13-18(7-8-18)17(26)23-9-12-25-10-5-14(6-11-25)15-3-2-4-16(24-15)19(20,21)22/h2-4,14H,5-13H2,1H3,(H,23,26).
What are the key properties of 1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide?
1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155922399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).