3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one

C17H28N4O2 — CID 124952637

IUPAC3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCNC2)o1
InChIInChI=1S/C17H28N4O2/c1-12(2)10-15(22)21-9-4-3-7-14(21)17-20-19-16(23-17)13-6-5-8-18-11-13/h12-14,18H,3-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyDPYVBVNTRSIKBT-KBPBESRZSA-N
MW320.44 g/mol
LogP2.64
Rot. Bonds4

About 3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one

3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one (PubChem CID 124952637) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
PubChem CID124952637
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
SMILESCC(C)CC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCNC2)o1
InChIInChI=1S/C17H28N4O2/c1-12(2)10-15(22)21-9-4-3-7-14(21)17-20-19-16(23-17)13-6-5-8-18-11-13/h12-14,18H,3-11H2,1-2H3/t13-,14-/m0/s1
InChIKeyDPYVBVNTRSIKBT-KBPBESRZSA-N
XLogP2.64
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-2-[5-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 125017606
1-[2-[5-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 110083144
1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 124956744
2-piperidin-3-yl-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 82473056
2-[(3S)-piperidin-3-yl]-5-propan-2-yl-1,3,4-oxadiazole
CID 96656863
1-[(2S)-2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 11937630
methyl 5-piperidin-3-yl-1,3,4-oxadiazole-2-carboxylate
CID 105464818
3-methyl-1-[2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]butan-1-one
CID 91918866
1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 95805382
[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-(2-hydroxy-4-propan-2-ylphenyl)methanone
CID 136544299
1-[2-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 120960373
2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 84666395

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one (CID 124952637) is 3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one is CC(C)CC(=O)N1CCCC[C@H]1c1nnc([C@H]2CCCNC2)o1.
What is the InChIKey of 3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
The InChIKey is DPYVBVNTRSIKBT-KBPBESRZSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(2)10-15(22)21-9-4-3-7-14(21)17-20-19-16(23-17)13-6-5-8-18-11-13/h12-14,18H,3-11H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one?
3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one has a molecular weight of 320.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 124952637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).