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

C17H17F3N4O4 — CID 87625006

IUPAC(7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)N(Cc1ccc2ccc(=O)[nH]c2n1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C17H17F3N4O4/c18-17(19,20)15(26)23-7-5-12(6-8-23)24(16(27)28)9-11-3-1-10-2-4-13(25)22-14(10)21-11/h1-4,12H,5-9H2,(H,27,28)(H,21,22,25)
InChIKeyPHBARVJQALVELQ-UHFFFAOYSA-N
MW398.34 g/mol
LogP1.96
Rot. Bonds3

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

(7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid (PubChem CID 87625006) 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-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name(7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid
PubChem CID87625006
Molecular FormulaC17H17F3N4O4
Molecular Weight398.34 g/mol
Exact Mass398.12
IUPAC Name(7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)N(Cc1ccc2ccc(=O)[nH]c2n1)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C17H17F3N4O4/c18-17(19,20)15(26)23-7-5-12(6-8-23)24(16(27)28)9-11-3-1-10-2-4-13(25)22-14(10)21-11/h1-4,12H,5-9H2,(H,27,28)(H,21,22,25)
InChIKeyPHBARVJQALVELQ-UHFFFAOYSA-N
XLogP1.96
TPSA106.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid?
The IUPAC name of (7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid (CID 87625006) is (7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for (7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for (7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid is O=C(O)N(Cc1ccc2ccc(=O)[nH]c2n1)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of (7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid?
The InChIKey is PHBARVJQALVELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O4/c18-17(19,20)15(26)23-7-5-12(6-8-23)24(16(27)28)9-11-3-1-10-2-4-13(25)22-14(10)21-11/h1-4,12H,5-9H2,(H,27,28)(H,21,22,25).
What are the key properties of (7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid?
(7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid has a molecular weight of 398.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-oxo-8H-1,8-naphthyridin-2-yl)methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 87625006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).