2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one

C18H34N6O3 — CID 142573600

IUPAC2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C2NOC(C3CCNC(NC4COC4)C3)N2)CC1
InChIInChI=1S/C18H34N6O3/c1-12(2)17(25)23-5-7-24(8-6-23)18-21-16(27-22-18)13-3-4-19-15(9-13)20-14-10-26-11-14/h12-16,18-22H,3-11H2,1-2H3
InChIKeyRJUPGVJERVOMMW-UHFFFAOYSA-N
MW382.51 g/mol
LogP-1.17
Rot. Bonds5

About 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one

2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 142573600) has the molecular formula C18H34N6O3 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID142573600
Molecular FormulaC18H34N6O3
Molecular Weight382.51 g/mol
Exact Mass382.27
IUPAC Name2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(C2NOC(C3CCNC(NC4COC4)C3)N2)CC1
InChIInChI=1S/C18H34N6O3/c1-12(2)17(25)23-5-7-24(8-6-23)18-21-16(27-22-18)13-3-4-19-15(9-13)20-14-10-26-11-14/h12-16,18-22H,3-11H2,1-2H3
InChIKeyRJUPGVJERVOMMW-UHFFFAOYSA-N
XLogP-1.17
TPSA90.13 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]propan-1-one
CID 142573497
1-[4-[5-[4-(aminomethyl)-3-fluoro-5-(oxetan-3-ylamino)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 177106665
2-methyl-1-[4-[4-(methylamino)oxolane-3-carbonyl]piperazin-1-yl]propan-1-one
CID 66267388
2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 43747773
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
1-[4-[5-[4-fluoro-3-(4-oxa-7-azaspiro[2.5]octan-7-yl)cyclohexyl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 154625987
(2S)-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-2-carboxamide
CID 103808776
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
methyl 2-[4-(2-methylpropanoyl)piperazin-1-yl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxylate
CID 162458199
1-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 43747838
2-methyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119297843

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one (CID 142573600) is 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(C2NOC(C3CCNC(NC4COC4)C3)N2)CC1.
What is the InChIKey of 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is RJUPGVJERVOMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N6O3/c1-12(2)17(25)23-5-7-24(8-6-23)18-21-16(27-22-18)13-3-4-19-15(9-13)20-14-10-26-11-14/h12-16,18-22H,3-11H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one?
2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 382.51 g/mol, XLogP of -1.17, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 142573600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).