(Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one

C18H21N3O3 — CID 94570799

IUPAC(Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one
SMILESCOc1ccccc1/C=C\C(=O)N1CCC(c2nc(C)no2)CC1
InChIInChI=1S/C18H21N3O3/c1-13-19-18(24-20-13)15-9-11-21(12-10-15)17(22)8-7-14-5-3-4-6-16(14)23-2/h3-8,15H,9-12H2,1-2H3/b8-7-
InChIKeyFUKCBLZRQLCJMC-FPLPWBNLSA-N
MW327.38 g/mol
LogP2.81
Rot. Bonds4

About (Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one

(Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one (PubChem CID 94570799) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one
PubChem CID94570799
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one
SMILESCOc1ccccc1/C=C\C(=O)N1CCC(c2nc(C)no2)CC1
InChIInChI=1S/C18H21N3O3/c1-13-19-18(24-20-13)15-9-11-21(12-10-15)17(22)8-7-14-5-3-4-6-16(14)23-2/h3-8,15H,9-12H2,1-2H3/b8-7-
InChIKeyFUKCBLZRQLCJMC-FPLPWBNLSA-N
XLogP2.81
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(difluoromethoxy)-3-methoxyphenyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one
CID 75835351
5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 167968274
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 76865457
3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2929140
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one
CID 94571670
1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724
(E)-1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 6142829
(2,6-dimethoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;(3Z)-2-methyl-5-methylidenehepta-1,3-diene
CID 143347302
(E)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 51984699
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 47061076
1-[4-[3-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]prop-2-en-1-one
CID 166406173
1-[3-(2-methoxyphenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 126771752

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of (Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one (CID 94570799) is (Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for (Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one is COc1ccccc1/C=C\C(=O)N1CCC(c2nc(C)no2)CC1.
What is the InChIKey of (Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is FUKCBLZRQLCJMC-FPLPWBNLSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-19-18(24-20-13)15-9-11-21(12-10-15)17(22)8-7-14-5-3-4-6-16(14)23-2/h3-8,15H,9-12H2,1-2H3/b8-7-.
What are the key properties of (Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one?
(Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 327.38 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methoxyphenyl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 94570799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).