[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone

C20H29N5O3 — CID 128973645

IUPAC[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC(OC)(c2nc(C3CC3)no2)CC1
InChIInChI=1S/C20H29N5O3/c1-5-25-16(12-15(22-25)13(2)3)18(26)24-10-8-20(27-4,9-11-24)19-21-17(23-28-19)14-6-7-14/h12-14H,5-11H2,1-4H3
InChIKeyHTFHLAGBFHGJBI-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.06
Rot. Bonds6

About [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone

[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 128973645) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
PubChem CID128973645
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCC(OC)(c2nc(C3CC3)no2)CC1
InChIInChI=1S/C20H29N5O3/c1-5-25-16(12-15(22-25)13(2)3)18(26)24-10-8-20(27-4,9-11-24)19-21-17(23-28-19)14-6-7-14/h12-14H,5-11H2,1-4H3
InChIKeyHTFHLAGBFHGJBI-UHFFFAOYSA-N
XLogP3.06
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 128973649
(5-chloro-2-pyridinyl)-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]methanone
CID 128973660
1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 128973663
1-[4-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 70747110
[(4R)-4-aminoazepan-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 95721521
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 70734009
(3,4-dihydroxypyrrolidin-1-yl)-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 106671806
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(4-methoxy-4-phenylpiperidin-1-yl)methanone
CID 162636784
5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 132972034
[4-(2,6-difluorophenyl)-4-hydroxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 139010155
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 128973547
3-chloro-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]methyl]benzoic acid
CID 136552279

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone (CID 128973645) is [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone is CCn1nc(C(C)C)cc1C(=O)N1CCC(OC)(c2nc(C3CC3)no2)CC1.
What is the InChIKey of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is HTFHLAGBFHGJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-5-25-16(12-15(22-25)13(2)3)18(26)24-10-8-20(27-4,9-11-24)19-21-17(23-28-19)14-6-7-14/h12-14H,5-11H2,1-4H3.
What are the key properties of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone?
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 387.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 128973645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).