[1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

C22H30N4O3 — CID 75474998

IUPAC[1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCC(C)CN1CCC(C(=O)N2CCOCC2c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H30N4O3/c1-16(2)14-25-10-8-18(9-11-25)22(27)26-12-13-28-15-19(26)20-23-21(29-24-20)17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3
InChIKeySNMWAVYZFVAYMW-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.00
Rot. Bonds5

About [1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone

[1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (PubChem CID 75474998) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is [1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
PubChem CID75474998
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name[1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone
SMILESCC(C)CN1CCC(C(=O)N2CCOCC2c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H30N4O3/c1-16(2)14-25-10-8-18(9-11-25)22(27)26-12-13-28-15-19(26)20-23-21(29-24-20)17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3
InChIKeySNMWAVYZFVAYMW-UHFFFAOYSA-N
XLogP3.00
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of [1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone (CID 75474998) is [1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is CC(C)CN1CCC(C(=O)N2CCOCC2c2noc(-c3ccccc3)n2)CC1.
What is the InChIKey of [1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is SNMWAVYZFVAYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-16(2)14-25-10-8-18(9-11-25)22(27)26-12-13-28-15-19(26)20-23-21(29-24-20)17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone?
[1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)piperidin-4-yl]-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75474998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).