methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate

C17H21F3N4O4 — CID 166595798

IUPACmethyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(C2CC(=O)NC(N3CCOCC3C(F)(F)F)C2)ccn1
InChIInChI=1S/C17H21F3N4O4/c1-27-16(26)22-13-6-10(2-3-21-13)11-7-14(23-15(25)8-11)24-4-5-28-9-12(24)17(18,19)20/h2-3,6,11-12,14H,4-5,7-9H2,1H3,(H,23,25)(H,21,22,26)
InChIKeyCPCUWYGEWDFVEV-UHFFFAOYSA-N
MW402.37 g/mol
LogP1.84
Rot. Bonds3

About methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate

methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate (PubChem CID 166595798) has the molecular formula C17H21F3N4O4 and a molecular weight of 402.37 g/mol. Its IUPAC name is methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate
PubChem CID166595798
Molecular FormulaC17H21F3N4O4
Molecular Weight402.37 g/mol
Exact Mass402.15
IUPAC Namemethyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(C2CC(=O)NC(N3CCOCC3C(F)(F)F)C2)ccn1
InChIInChI=1S/C17H21F3N4O4/c1-27-16(26)22-13-6-10(2-3-21-13)11-7-14(23-15(25)8-11)24-4-5-28-9-12(24)17(18,19)20/h2-3,6,11-12,14H,4-5,7-9H2,1H3,(H,23,25)(H,21,22,26)
InChIKeyCPCUWYGEWDFVEV-UHFFFAOYSA-N
XLogP1.84
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate (CID 166595798) is methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate is COC(=O)Nc1cc(C2CC(=O)NC(N3CCOCC3C(F)(F)F)C2)ccn1.
What is the InChIKey of methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate?
The InChIKey is CPCUWYGEWDFVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O4/c1-27-16(26)22-13-6-10(2-3-21-13)11-7-14(23-15(25)8-11)24-4-5-28-9-12(24)17(18,19)20/h2-3,6,11-12,14H,4-5,7-9H2,1H3,(H,23,25)(H,21,22,26).
What are the key properties of methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate?
methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate has a molecular weight of 402.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 166595798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).