1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone

C20H34N4O2 — CID 97199347

IUPAC1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone
SMILESCCCN1CCC(CC(=O)N2CCCC[C@H]2c2nc(C(C)C)no2)CC1
InChIInChI=1S/C20H34N4O2/c1-4-10-23-12-8-16(9-13-23)14-18(25)24-11-6-5-7-17(24)20-21-19(15(2)3)22-26-20/h15-17H,4-14H2,1-3H3/t17-/m0/s1
InChIKeyJHEZHXNTIPCNCE-KRWDZBQOSA-N
MW362.52 g/mol
LogP3.76
Rot. Bonds6

About 1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone

1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone (PubChem CID 97199347) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone
PubChem CID97199347
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone
SMILESCCCN1CCC(CC(=O)N2CCCC[C@H]2c2nc(C(C)C)no2)CC1
InChIInChI=1S/C20H34N4O2/c1-4-10-23-12-8-16(9-13-23)14-18(25)24-11-6-5-7-17(24)20-21-19(15(2)3)22-26-20/h15-17H,4-14H2,1-3H3/t17-/m0/s1
InChIKeyJHEZHXNTIPCNCE-KRWDZBQOSA-N
XLogP3.76
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-piperidin-1-yl-1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 97197902
2-[4-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97145776
1-methyl-3-[2-oxo-2-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 125154868
2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607
1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 70706984
[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72877576
N-cyclopentyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70772545
1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 97125030
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 131930930
5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 56728159
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089
[1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70740161

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone?
The IUPAC name of 1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone (CID 97199347) is 1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone is CCCN1CCC(CC(=O)N2CCCC[C@H]2c2nc(C(C)C)no2)CC1.
What is the InChIKey of 1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone?
The InChIKey is JHEZHXNTIPCNCE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-4-10-23-12-8-16(9-13-23)14-18(25)24-11-6-5-7-17(24)20-21-19(15(2)3)22-26-20/h15-17H,4-14H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone?
1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone has a molecular weight of 362.52 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 97199347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).