(7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate

C17H17F3N4O4 — CID 142697944

IUPAC(7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)C(F)(F)F)CC1)OCc1ccc2ccc(=O)[nH]c2n1
InChIInChI=1S/C17H17F3N4O4/c18-17(19,20)15(26)24-7-5-11(6-8-24)22-16(27)28-9-12-3-1-10-2-4-13(25)23-14(10)21-12/h1-4,11H,5-9H2,(H,22,27)(H,21,23,25)
InChIKeyGHNNPGXATMGWDB-UHFFFAOYSA-N
MW398.34 g/mol
LogP1.70
Rot. Bonds3

About (7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate

(7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate (PubChem CID 142697944) has the molecular formula C17H17F3N4O4 and a molecular weight of 398.34 g/mol. Its IUPAC name is (7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Name(7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate
PubChem CID142697944
Molecular FormulaC17H17F3N4O4
Molecular Weight398.34 g/mol
Exact Mass398.12
IUPAC Name(7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)C(F)(F)F)CC1)OCc1ccc2ccc(=O)[nH]c2n1
InChIInChI=1S/C17H17F3N4O4/c18-17(19,20)15(26)24-7-5-11(6-8-24)22-16(27)28-9-12-3-1-10-2-4-13(25)23-14(10)21-12/h1-4,11H,5-9H2,(H,22,27)(H,21,23,25)
InChIKeyGHNNPGXATMGWDB-UHFFFAOYSA-N
XLogP1.70
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2S)-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1-oxo-6-(prop-2-enoylamino)hexan-2-yl]carbamate
CID 71450341
(4-methylphenyl)methyl (4R)-3,3-difluoro-4-[[(6-methylpyridin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 134554655
Tert-butyl ((7-oxo-7,8-dihydro-1,8-naphthyridin-2-yl)methyl)(1-(trifluoroacetyl)piperidin-4-yl)carbamate
CID 57815315
1-[(9R,13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]propyl N-ethylcarbamate;2,2,2-trifluoroacetic acid
CID 87888791
[(1S)-1-[(9R,13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]ethyl] N-ethylcarbamate;2,2,2-trifluoroacetic acid
CID 87888817
[(1S)-1-[(9R,13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]ethyl] N-propylcarbamate;2,2,2-trifluoroacetic acid
CID 87888820
1-[(9R,13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]butyl N-ethylcarbamate;2,2,2-trifluoroacetic acid
CID 87888874
[(1S)-1-[(9R,13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-4-yl]ethyl] N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid
CID 87888932
1-O-benzyl 4-O-tert-butyl (2S)-2-[[6-(trifluoromethyl)pyridin-2-yl]carbamoyl]piperazine-1,4-dicarboxylate
CID 129229341
(4-methylphenyl)methyl (4S)-3,3-difluoro-4-[[(6-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 134543075
(4-Methylphenyl)methyl 3,3-difluoro-4-[[(6-methyl-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 134554656
1-O-benzyl 4-O-tert-butyl 2-[[6-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperazine-1,4-dicarboxylate
CID 138584276

Frequently Asked Questions

What is the IUPAC name of (7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate?
The IUPAC name of (7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate (CID 142697944) is (7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate.
What is the SMILES notation for (7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate?
The canonical SMILES for (7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate is O=C(NC1CCN(C(=O)C(F)(F)F)CC1)OCc1ccc2ccc(=O)[nH]c2n1.
What is the InChIKey of (7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate?
The InChIKey is GHNNPGXATMGWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O4/c18-17(19,20)15(26)24-7-5-11(6-8-24)22-16(27)28-9-12-3-1-10-2-4-13(25)23-14(10)21-12/h1-4,11H,5-9H2,(H,22,27)(H,21,23,25).
What are the key properties of (7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate?
(7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate has a molecular weight of 398.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-8H-1,8-naphthyridin-2-yl)methyl N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 142697944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).