1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C25H40N4O3 — CID 95805382

IUPAC1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)CCC3CCCC3)o2)CC1
InChIInChI=1S/C25H40N4O3/c1-25(2,3)24(31)28-16-13-19(14-17-28)22-26-27-23(32-22)20-10-6-7-15-29(20)21(30)12-11-18-8-4-5-9-18/h18-20H,4-17H2,1-3H3/t20-/m1/s1
InChIKeySRSGZZYJIDKINX-HXUWFJFHSA-N
MW444.62 g/mol
LogP4.85
Rot. Bonds5

About 1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 95805382) has the molecular formula C25H40N4O3 and a molecular weight of 444.62 g/mol. Its IUPAC name is 1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID95805382
Molecular FormulaC25H40N4O3
Molecular Weight444.62 g/mol
Exact Mass444.31
IUPAC Name1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)CCC3CCCC3)o2)CC1
InChIInChI=1S/C25H40N4O3/c1-25(2,3)24(31)28-16-13-19(14-17-28)22-26-27-23(32-22)20-10-6-7-15-29(20)21(30)12-11-18-8-4-5-9-18/h18-20H,4-17H2,1-3H3/t20-/m1/s1
InChIKeySRSGZZYJIDKINX-HXUWFJFHSA-N
XLogP4.85
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

3-cyclopentyl-1-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 90539832
2-methyl-1-[2-[5-[1-(2-pyridin-2-yloxyacetyl)piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 127244484
3-cyclopentyl-1-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 4046080
(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 129345198
3-methyl-1-[(2S)-2-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]butan-1-one
CID 124952637
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
3-cyclohexyl-1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propan-1-one
CID 86952952
3-cyclopentyl-1-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]propan-1-one
CID 95575791
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
(5-ethylfuran-2-yl)-[2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 128990688
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol
CID 154743934

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 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) is 1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(c2nnc([C@H]3CCCCN3C(=O)CCC3CCCC3)o2)CC1.
What is the InChIKey of 1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is SRSGZZYJIDKINX-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H40N4O3/c1-25(2,3)24(31)28-16-13-19(14-17-28)22-26-27-23(32-22)20-10-6-7-15-29(20)21(30)12-11-18-8-4-5-9-18/h18-20H,4-17H2,1-3H3/t20-/m1/s1.
What are the key properties of 1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 444.62 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 95805382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).