(6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C22H27N3O4 — CID 166240010

IUPAC(6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc2c(c1)C=C(C(=O)N1CCC(Cc3nc(C(C)C)no3)CC1)CO2
InChIInChI=1S/C22H27N3O4/c1-14(2)21-23-20(29-24-21)10-15-6-8-25(9-7-15)22(26)17-11-16-12-18(27-3)4-5-19(16)28-13-17/h4-5,11-12,14-15H,6-10,13H2,1-3H3
InChIKeyHZXWUTWDESWITI-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.46
Rot. Bonds5

About (6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

(6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 166240010) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is (6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID166240010
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name(6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc2c(c1)C=C(C(=O)N1CCC(Cc3nc(C(C)C)no3)CC1)CO2
InChIInChI=1S/C22H27N3O4/c1-14(2)21-23-20(29-24-21)10-15-6-8-25(9-7-15)22(26)17-11-16-12-18(27-3)4-5-19(16)28-13-17/h4-5,11-12,14-15H,6-10,13H2,1-3H3
InChIKeyHZXWUTWDESWITI-UHFFFAOYSA-N
XLogP3.46
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 169284639
(4-fluorophenyl)-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91906465
(4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91908109
2-phenyl-1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 175667258
1-(6-methoxy-2H-chromene-3-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118636
(6-methoxy-2H-chromen-3-yl)-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124684607
5-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133464962
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 91906458
(4-methoxy-2-methylphenyl)-[4-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91891877
6-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 138688442
2-(4-methoxyphenoxy)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 91916671
(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625169

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 166240010) is (6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is COc1ccc2c(c1)C=C(C(=O)N1CCC(Cc3nc(C(C)C)no3)CC1)CO2.
What is the InChIKey of (6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is HZXWUTWDESWITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-14(2)21-23-20(29-24-21)10-15-6-8-25(9-7-15)22(26)17-11-16-12-18(27-3)4-5-19(16)28-13-17/h4-5,11-12,14-15H,6-10,13H2,1-3H3.
What are the key properties of (6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-2H-chromen-3-yl)-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 166240010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).