3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one

C20H25N3O3 — CID 128862882

IUPAC3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one
SMILESCc1ccc2oc(C(=O)N3CCNC(=O)C3CC3CCCCC3)cc2n1
InChIInChI=1S/C20H25N3O3/c1-13-7-8-17-15(22-13)12-18(26-17)20(25)23-10-9-21-19(24)16(23)11-14-5-3-2-4-6-14/h7-8,12,14,16H,2-6,9-11H2,1H3,(H,21,24)
InChIKeySCTIQOMNJJLKCI-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.05
Rot. Bonds3

About 3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one

3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one (PubChem CID 128862882) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one
PubChem CID128862882
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one
SMILESCc1ccc2oc(C(=O)N3CCNC(=O)C3CC3CCCCC3)cc2n1
InChIInChI=1S/C20H25N3O3/c1-13-7-8-17-15(22-13)12-18(26-17)20(25)23-10-9-21-19(24)16(23)11-14-5-3-2-4-6-14/h7-8,12,14,16H,2-6,9-11H2,1H3,(H,21,24)
InChIKeySCTIQOMNJJLKCI-UHFFFAOYSA-N
XLogP3.05
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 128862754
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
CID 119469805
(5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 119473639
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119634678
3-(cyclohexylmethyl)-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 128862816
N-ethyl-2-[1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperidin-2-yl]acetamide
CID 146085668
5-[2-(cyclohexylmethyl)-3-oxopiperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 122120035
3-(cyclohexylmethyl)-4-[2-(2-methylimidazol-1-yl)acetyl]piperazin-2-one
CID 128866340
(5-methylfuro[3,2-b]pyridin-2-yl)-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 138996158
(5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603468
[4-(methylamino)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119564041
(2S)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99825783

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one (CID 128862882) is 3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one is Cc1ccc2oc(C(=O)N3CCNC(=O)C3CC3CCCCC3)cc2n1.
What is the InChIKey of 3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one?
The InChIKey is SCTIQOMNJJLKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-7-8-17-15(22-13)12-18(26-17)20(25)23-10-9-21-19(24)16(23)11-14-5-3-2-4-6-14/h7-8,12,14,16H,2-6,9-11H2,1H3,(H,21,24).
What are the key properties of 3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one?
3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one has a molecular weight of 355.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 128862882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).