7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C18H24N4O3 — CID 167990629

IUPAC7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=C(c1ccnc2[nH]c(=O)[nH]c12)N1CCCCC1C1CCCCC1O
InChIInChI=1S/C18H24N4O3/c23-14-7-2-1-5-11(14)13-6-3-4-10-22(13)17(24)12-8-9-19-16-15(12)20-18(25)21-16/h8-9,11,13-14,23H,1-7,10H2,(H2,19,20,21,25)
InChIKeyTVAXIICEAQYHFK-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.80
Rot. Bonds2

About 7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 167990629) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID167990629
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=C(c1ccnc2[nH]c(=O)[nH]c12)N1CCCCC1C1CCCCC1O
InChIInChI=1S/C18H24N4O3/c23-14-7-2-1-5-11(14)13-6-3-4-10-22(13)17(24)12-8-9-19-16-15(12)20-18(25)21-16/h8-9,11,13-14,23H,1-7,10H2,(H2,19,20,21,25)
InChIKeyTVAXIICEAQYHFK-UHFFFAOYSA-N
XLogP1.80
TPSA102.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 167990629) is 7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=C(c1ccnc2[nH]c(=O)[nH]c12)N1CCCCC1C1CCCCC1O.
What is the InChIKey of 7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is TVAXIICEAQYHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c23-14-7-2-1-5-11(14)13-6-3-4-10-22(13)17(24)12-8-9-19-16-15(12)20-18(25)21-16/h8-9,11,13-14,23H,1-7,10H2,(H2,19,20,21,25).
What are the key properties of 7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 344.42 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-hydroxycyclohexyl)piperidine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 167990629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).