3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

C18H22N4O2 — CID 110104163

IUPAC3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCc1cnc(C2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)[nH]1
InChIInChI=1S/C18H22N4O2/c1-11-9-19-16(20-11)13-5-3-7-22(10-13)18(24)14-8-12-4-2-6-15(12)21-17(14)23/h8-9,13H,2-7,10H2,1H3,(H,19,20)(H,21,23)
InChIKeyYFEYMBASJKQNHL-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.91
Rot. Bonds2

About 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one

3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (PubChem CID 110104163) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
PubChem CID110104163
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
SMILESCc1cnc(C2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)[nH]1
InChIInChI=1S/C18H22N4O2/c1-11-9-19-16(20-11)13-5-3-7-22(10-13)18(24)14-8-12-4-2-6-15(12)21-17(14)23/h8-9,13H,2-7,10H2,1H3,(H,19,20)(H,21,23)
InChIKeyYFEYMBASJKQNHL-UHFFFAOYSA-N
XLogP1.91
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The IUPAC name of 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one (CID 110104163) is 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one.
What is the SMILES notation for 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The canonical SMILES for 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is Cc1cnc(C2CCCN(C(=O)c3cc4c([nH]c3=O)CCC4)C2)[nH]1.
What is the InChIKey of 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
The InChIKey is YFEYMBASJKQNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11-9-19-16(20-11)13-5-3-7-22(10-13)18(24)14-8-12-4-2-6-15(12)21-17(14)23/h8-9,13H,2-7,10H2,1H3,(H,19,20)(H,21,23).
What are the key properties of 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one?
3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one is sourced from PubChem (CID 110104163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).