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

C19H35N5O3 — CID 142573497

IUPAC2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(C2NOC(C3CCNC(NC4COC4)C3)N2)CC1
InChIInChI=1S/C19H35N5O3/c1-12(2)19(25)24-7-4-13(5-8-24)17-22-18(27-23-17)14-3-6-20-16(9-14)21-15-10-26-11-15/h12-18,20-23H,3-11H2,1-2H3
InChIKeyHQAFOKQRRCKMHM-UHFFFAOYSA-N
MW381.52 g/mol
LogP-0.03
Rot. Bonds5

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

2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]propan-1-one (PubChem CID 142573497) has the molecular formula C19H35N5O3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-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]piperidin-1-yl]propan-1-one
PubChem CID142573497
Molecular FormulaC19H35N5O3
Molecular Weight381.52 g/mol
Exact Mass381.27
IUPAC Name2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(C2NOC(C3CCNC(NC4COC4)C3)N2)CC1
InChIInChI=1S/C19H35N5O3/c1-12(2)19(25)24-7-4-13(5-8-24)17-22-18(27-23-17)14-3-6-20-16(9-14)21-15-10-26-11-15/h12-18,20-23H,3-11H2,1-2H3
InChIKeyHQAFOKQRRCKMHM-UHFFFAOYSA-N
XLogP-0.03
TPSA86.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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
cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
CID 148941330
(1-methylcyclopropyl) 4-[5-[2-(3,3-difluoropyrrolidin-1-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626067
propan-2-yl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 177106669
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 63259596
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626016
tert-butyl 4-[5-[1-(oxetan-3-yl)-2,3,3a,4,5,6,7,7a-octahydropyrazolo[4,3-b]pyridin-6-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 177106667
2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
CID 43747773
2-methyl-1-[4-[2-[4-(2-piperidin-4-ylethyl)piperidin-2-yl]piperidin-4-yl]piperidin-1-yl]propan-1-one
CID 172604583

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]piperidin-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]piperidin-1-yl]propan-1-one (CID 142573497) is 2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-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]piperidin-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]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(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]piperidin-1-yl]propan-1-one?
The InChIKey is HQAFOKQRRCKMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3/c1-12(2)19(25)24-7-4-13(5-8-24)17-22-18(27-23-17)14-3-6-20-16(9-14)21-15-10-26-11-15/h12-18,20-23H,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]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]propan-1-one has a molecular weight of 381.52 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 7 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]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 142573497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).