1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide

C20H21N3O5 — CID 90504580

IUPAC1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)CC1
InChIInChI=1S/C20H21N3O5/c21-18(24)12-3-7-23(8-4-12)19(25)20(5-6-20)17-10-15(28-22-17)13-1-2-14-16(9-13)27-11-26-14/h1-2,9-10,12H,3-8,11H2,(H2,21,24)
InChIKeyZIIQOPIIDQLYMR-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.83
Rot. Bonds4

About 1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide

1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide (PubChem CID 90504580) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide
PubChem CID90504580
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)CC1
InChIInChI=1S/C20H21N3O5/c21-18(24)12-3-7-23(8-4-12)19(25)20(5-6-20)17-10-15(28-22-17)13-1-2-14-16(9-13)27-11-26-14/h1-2,9-10,12H,3-8,11H2,(H2,21,24)
InChIKeyZIIQOPIIDQLYMR-UHFFFAOYSA-N
XLogP1.83
TPSA107.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(4-benzylpiperidin-1-yl)methanone
CID 90504581
[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 90504805
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(2-oxothiolan-3-yl)cyclopropane-1-carboxamide
CID 90504804
[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 90504658
[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]-pyrrolidin-1-ylmethanone
CID 90503978
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 90504763
azepan-1-yl-[1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90504286
1-[5-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907748
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90504673
ethyl 4-[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 90503998
1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 90504663
[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 146230021

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide (CID 90504580) is 1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C2(c3cc(-c4ccc5c(c4)OCO5)on3)CC2)CC1.
What is the InChIKey of 1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide?
The InChIKey is ZIIQOPIIDQLYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c21-18(24)12-3-7-23(8-4-12)19(25)20(5-6-20)17-10-15(28-22-17)13-1-2-14-16(9-13)27-11-26-14/h1-2,9-10,12H,3-8,11H2,(H2,21,24).
What are the key properties of 1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide?
1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]cyclopropanecarbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 90504580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).