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

C18H19F2N3O3 — CID 128973649

IUPAC[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone
SMILESCOC1(c2nc(C3CC3)no2)CCN(C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C18H19F2N3O3/c1-25-18(17-21-15(22-26-17)11-2-3-11)4-6-23(7-5-18)16(24)12-8-13(19)10-14(20)9-12/h8-11H,2-7H2,1H3
InChIKeyBTWUOXPRNHVQQN-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.00
Rot. Bonds4

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

[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone (PubChem CID 128973649) has the molecular formula C18H19F2N3O3 and a molecular weight of 363.36 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone
PubChem CID128973649
Molecular FormulaC18H19F2N3O3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone
SMILESCOC1(c2nc(C3CC3)no2)CCN(C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C18H19F2N3O3/c1-25-18(17-21-15(22-26-17)11-2-3-11)4-6-23(7-5-18)16(24)12-8-13(19)10-14(20)9-12/h8-11H,2-7H2,1H3
InChIKeyBTWUOXPRNHVQQN-UHFFFAOYSA-N
XLogP3.00
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2-pyridinyl)-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]methanone
CID 128973660
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 128973645
1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 128973663
3-chloro-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]methyl]benzoic acid
CID 136552279
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 128973547
N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 128973592
5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 132972034
(3,5-difluorophenyl)-[3-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]azetidin-1-yl]methanone
CID 87052290
[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 172880469
5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 128973617
3-(3,5-difluorophenyl)-3-methoxypyrrolidine-1-carboxylic acid
CID 67441553
[4-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 91891985

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone (CID 128973649) is [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone is COC1(c2nc(C3CC3)no2)CCN(C(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone?
The InChIKey is BTWUOXPRNHVQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3/c1-25-18(17-21-15(22-26-17)11-2-3-11)4-6-23(7-5-18)16(24)12-8-13(19)10-14(20)9-12/h8-11H,2-7H2,1H3.
What are the key properties of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone?
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone has a molecular weight of 363.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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]-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 128973649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).