2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one

C18H21N3O4 — CID 91791625

IUPAC2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)o1
InChIInChI=1S/C18H21N3O4/c1-11-8-14(22)10-15(24-11)18(23)21-6-4-12(5-7-21)9-16-19-17(25-20-16)13-2-3-13/h8,10,12-13H,2-7,9H2,1H3
InChIKeyMKIQRSLKCXHQAC-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.30
Rot. Bonds4

About 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one

2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one (PubChem CID 91791625) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
PubChem CID91791625
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)o1
InChIInChI=1S/C18H21N3O4/c1-11-8-14(22)10-15(24-11)18(23)21-6-4-12(5-7-21)9-16-19-17(25-20-16)13-2-3-13/h8,10,12-13H,2-7,9H2,1H3
InChIKeyMKIQRSLKCXHQAC-UHFFFAOYSA-N
XLogP2.30
TPSA89.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one with MolForge

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Related Compounds

4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide
CID 72852704
(3-methyl-1,2-oxazol-5-yl)-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51984864
1-[2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 91774958
2-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-6-methylpyran-4-one
CID 118780734
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
2-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine-7-carbonyl)-6-methylpyran-4-one
CID 163315017
3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 72862698
5-cyclopropyl-3-[[1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]methyl]-1,2,4-oxadiazole
CID 74239558
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 72856906
1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91832507
2-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]-6-methylpyran-4-one
CID 77082199

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one?
The IUPAC name of 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one (CID 91791625) is 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one is Cc1cc(=O)cc(C(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)o1.
What is the InChIKey of 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one?
The InChIKey is MKIQRSLKCXHQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-8-14(22)10-15(24-11)18(23)21-6-4-12(5-7-21)9-16-19-17(25-20-16)13-2-3-13/h8,10,12-13H,2-7,9H2,1H3.
What are the key properties of 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one?
2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one has a molecular weight of 343.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carbonyl]-6-methylpyran-4-one is sourced from PubChem (CID 91791625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).