2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone

C16H23N3O3 — CID 163338975

IUPAC2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCC(OCc2nc(C3CC3)no2)CC1
InChIInChI=1S/C16H23N3O3/c20-15(9-11-1-2-11)19-7-5-13(6-8-19)21-10-14-17-16(18-22-14)12-3-4-12/h11-13H,1-10H2
InChIKeySZHYHIYSZUGHRX-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.25
Rot. Bonds6

About 2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone

2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone (PubChem CID 163338975) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
PubChem CID163338975
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
SMILESO=C(CC1CC1)N1CCC(OCc2nc(C3CC3)no2)CC1
InChIInChI=1S/C16H23N3O3/c20-15(9-11-1-2-11)19-7-5-13(6-8-19)21-10-14-17-16(18-22-14)12-3-4-12/h11-13H,1-10H2
InChIKeySZHYHIYSZUGHRX-UHFFFAOYSA-N
XLogP2.25
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methylpiperidine-1-carboxamide
CID 163339507
3-[2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 163338758
1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-phenylpropan-1-one
CID 87053136
cyclohexyl-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 163338903
2-cyclohexyl-1-[3-[5-(phenylmethoxymethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]ethanone
CID 91920623
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937
1-[(3S)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 95990830
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-3-ylmethanone
CID 71687021
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-thiophen-2-ylmethanone
CID 71687010
(3R)-N-benzyl-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxamide
CID 95990869
3-cyclopropyl-5-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
CID 163339762
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 71864581

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone (CID 163338975) is 2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone is O=C(CC1CC1)N1CCC(OCc2nc(C3CC3)no2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
The InChIKey is SZHYHIYSZUGHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c20-15(9-11-1-2-11)19-7-5-13(6-8-19)21-10-14-17-16(18-22-14)12-3-4-12/h11-13H,1-10H2.
What are the key properties of 2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone?
2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone has a molecular weight of 305.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 163338975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).