2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid

C17H24N4O3 — CID 72866650

IUPAC2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid
SMILESO=C(O)CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1
InChIInChI=1S/C17H24N4O3/c22-14(23)10-20-8-5-17(6-9-20)15-13(18-11-19-15)4-7-21(17)16(24)12-2-1-3-12/h11-12H,1-10H2,(H,18,19)(H,22,23)
InChIKeyRDOYANVVYZGADU-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.97
Rot. Bonds3

About 2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid

2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid (PubChem CID 72866650) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid
PubChem CID72866650
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid
SMILESO=C(O)CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1
InChIInChI=1S/C17H24N4O3/c22-14(23)10-20-8-5-17(6-9-20)15-13(18-11-19-15)4-7-21(17)16(24)12-2-1-3-12/h11-12H,1-10H2,(H,18,19)(H,22,23)
InChIKeyRDOYANVVYZGADU-UHFFFAOYSA-N
XLogP0.97
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid?
The IUPAC name of 2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid (CID 72866650) is 2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid.
What is the SMILES notation for 2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid?
The canonical SMILES for 2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid is O=C(O)CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CCC1.
What is the InChIKey of 2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid?
The InChIKey is RDOYANVVYZGADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-14(23)10-20-8-5-17(6-9-20)15-13(18-11-19-15)4-7-21(17)16(24)12-2-1-3-12/h11-12H,1-10H2,(H,18,19)(H,22,23).
What are the key properties of 2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid?
2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid has a molecular weight of 332.40 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclobutanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]acetic acid is sourced from PubChem (CID 72866650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).