spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid

C15H18N4O2 — CID 150014609

IUPACspiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CNCc1cnc3[nH]ccc3c12
InChIInChI=1S/C15H18N4O2/c20-14(21)19-5-2-15(3-6-19)9-16-7-10-8-18-13-11(12(10)15)1-4-17-13/h1,4,8,16H,2-3,5-7,9H2,(H,17,18)(H,20,21)
InChIKeyDDZNBGKXMLOWBC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.68
Rot. Bonds

About spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid

spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid (PubChem CID 150014609) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Namespiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid
PubChem CID150014609
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Namespiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CNCc1cnc3[nH]ccc3c12
InChIInChI=1S/C15H18N4O2/c20-14(21)19-5-2-15(3-6-19)9-16-7-10-8-18-13-11(12(10)15)1-4-17-13/h1,4,8,16H,2-3,5-7,9H2,(H,17,18)(H,20,21)
InChIKeyDDZNBGKXMLOWBC-UHFFFAOYSA-N
XLogP1.68
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid (CID 150014609) is spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid is O=C(O)N1CCC2(CC1)CNCc1cnc3[nH]ccc3c12.
What is the InChIKey of spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid?
The InChIKey is DDZNBGKXMLOWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14(21)19-5-2-15(3-6-19)9-16-7-10-8-18-13-11(12(10)15)1-4-17-13/h1,4,8,16H,2-3,5-7,9H2,(H,17,18)(H,20,21).
What are the key properties of spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid?
spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.68, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,6,7,8-tetrahydropyrrolo[2,3-c][2,7]naphthyridine-9,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 150014609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).