cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone

C21H32N4O — CID 86283323

IUPACcyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESO=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(CC1CCCC1)CC2
InChIInChI=1S/C21H32N4O/c26-20(17-6-3-7-17)25-11-8-18-19(23-15-22-18)21(25)9-12-24(13-10-21)14-16-4-1-2-5-16/h15-17H,1-14H2,(H,22,23)
InChIKeyIFLJHHLUUKXDHE-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.08
Rot. Bonds3

About cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone

cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (PubChem CID 86283323) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
PubChem CID86283323
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Namecyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone
SMILESO=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(CC1CCCC1)CC2
InChIInChI=1S/C21H32N4O/c26-20(17-6-3-7-17)25-11-8-18-19(23-15-22-18)21(25)9-12-24(13-10-21)14-16-4-1-2-5-16/h15-17H,1-14H2,(H,22,23)
InChIKeyIFLJHHLUUKXDHE-UHFFFAOYSA-N
XLogP3.08
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The IUPAC name of cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone (CID 86283323) is cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone.
What is the SMILES notation for cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The canonical SMILES for cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is O=C(C1CCC1)N1CCc2[nH]cnc2C12CCN(CC1CCCC1)CC2.
What is the InChIKey of cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
The InChIKey is IFLJHHLUUKXDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c26-20(17-6-3-7-17)25-11-8-18-19(23-15-22-18)21(25)9-12-24(13-10-21)14-16-4-1-2-5-16/h15-17H,1-14H2,(H,22,23).
What are the key properties of cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone?
cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone has a molecular weight of 356.51 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[1'-(cyclopentylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]methanone is sourced from PubChem (CID 86283323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).