3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one

C18H22N4O2 — CID 91909918

IUPAC3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n([C@H]2CCCN(C(=O)C3CC=CC3)C2)c2ncccc21
InChIInChI=1S/C18H22N4O2/c1-20-15-9-4-10-19-16(15)22(18(20)24)14-8-5-11-21(12-14)17(23)13-6-2-3-7-13/h2-4,9-10,13-14H,5-8,11-12H2,1H3/t14-/m0/s1
InChIKeyCHHBJADBGSTHKF-AWEZNQCLSA-N
MW326.40 g/mol
LogP1.86
Rot. Bonds2

About 3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one

3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 91909918) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
PubChem CID91909918
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n([C@H]2CCCN(C(=O)C3CC=CC3)C2)c2ncccc21
InChIInChI=1S/C18H22N4O2/c1-20-15-9-4-10-19-16(15)22(18(20)24)14-8-5-11-21(12-14)17(23)13-6-2-3-7-13/h2-4,9-10,13-14H,5-8,11-12H2,1H3/t14-/m0/s1
InChIKeyCHHBJADBGSTHKF-AWEZNQCLSA-N
XLogP1.86
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one (CID 91909918) is 3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n([C@H]2CCCN(C(=O)C3CC=CC3)C2)c2ncccc21.
What is the InChIKey of 3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is CHHBJADBGSTHKF-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-20-15-9-4-10-19-16(15)22(18(20)24)14-8-5-11-21(12-14)17(23)13-6-2-3-7-13/h2-4,9-10,13-14H,5-8,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one?
3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 91909918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).