3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one

C16H25N3O — CID 53194976

IUPAC3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one
SMILESCC(C)CC(=O)N1CCc2[nH]cnc2C12CCCCC2
InChIInChI=1S/C16H25N3O/c1-12(2)10-14(20)19-9-6-13-15(18-11-17-13)16(19)7-4-3-5-8-16/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyKDDTWQZWQIKEJN-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.00
Rot. Bonds2

About 3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one

3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one (PubChem CID 53194976) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one.

Molecular Properties

Compound Name3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one
PubChem CID53194976
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one
SMILESCC(C)CC(=O)N1CCc2[nH]cnc2C12CCCCC2
InChIInChI=1S/C16H25N3O/c1-12(2)10-14(20)19-9-6-13-15(18-11-17-13)16(19)7-4-3-5-8-16/h11-12H,3-10H2,1-2H3,(H,17,18)
InChIKeyKDDTWQZWQIKEJN-UHFFFAOYSA-N
XLogP3.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one?
The IUPAC name of 3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one (CID 53194976) is 3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one.
What is the SMILES notation for 3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one?
The canonical SMILES for 3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one is CC(C)CC(=O)N1CCc2[nH]cnc2C12CCCCC2.
What is the InChIKey of 3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one?
The InChIKey is KDDTWQZWQIKEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)10-14(20)19-9-6-13-15(18-11-17-13)16(19)7-4-3-5-8-16/h11-12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one?
3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one has a molecular weight of 275.40 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,1'-cyclohexane]-5-ylbutan-1-one is sourced from PubChem (CID 53194976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).