1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile

C19H23N5O2 — CID 155914374

IUPAC1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile
SMILESCc1ccc2oc(N3CCC(C(=O)N4CCCC(C#N)C4)CC3)nc2n1
InChIInChI=1S/C19H23N5O2/c1-13-4-5-16-17(21-13)22-19(26-16)23-9-6-15(7-10-23)18(25)24-8-2-3-14(11-20)12-24/h4-5,14-15H,2-3,6-10,12H2,1H3
InChIKeyVJGYJJUFPIBOFZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.51
Rot. Bonds2

About 1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile

1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile (PubChem CID 155914374) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile
PubChem CID155914374
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile
SMILESCc1ccc2oc(N3CCC(C(=O)N4CCCC(C#N)C4)CC3)nc2n1
InChIInChI=1S/C19H23N5O2/c1-13-4-5-16-17(21-13)22-19(26-16)23-9-6-15(7-10-23)18(25)24-8-2-3-14(11-20)12-24/h4-5,14-15H,2-3,6-10,12H2,1H3
InChIKeyVJGYJJUFPIBOFZ-UHFFFAOYSA-N
XLogP2.51
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile with MolForge

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Related Compounds

[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 154565637
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 155491863
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 154823721
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 154818169
1-(cyclooctanecarbonyl)piperidine-3-carbonitrile
CID 65018910
(2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid
CID 154815776
tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
CID 175653793
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119173598
[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 46270760
N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154823090
[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53166939
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide
CID 171150648

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile (CID 155914374) is 1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile is Cc1ccc2oc(N3CCC(C(=O)N4CCCC(C#N)C4)CC3)nc2n1.
What is the InChIKey of 1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile?
The InChIKey is VJGYJJUFPIBOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-4-5-16-17(21-13)22-19(26-16)23-9-6-15(7-10-23)18(25)24-8-2-3-14(11-20)12-24/h4-5,14-15H,2-3,6-10,12H2,1H3.
What are the key properties of 1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile?
1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile is sourced from PubChem (CID 155914374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).