3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

C25H36N4O — CID 59657770

IUPAC3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESc1cc(-c2nc(CC3CCN(C4CCCC4)CC3)no2)ccc1CN1CCCCC1
InChIInChI=1S/C25H36N4O/c1-4-14-28(15-5-1)19-21-8-10-22(11-9-21)25-26-24(27-30-25)18-20-12-16-29(17-13-20)23-6-2-3-7-23/h8-11,20,23H,1-7,12-19H2
InChIKeyQMDOVDMYTCAPQS-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.92
Rot. Bonds6

About 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole

3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 59657770) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
PubChem CID59657770
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC Name3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESc1cc(-c2nc(CC3CCN(C4CCCC4)CC3)no2)ccc1CN1CCCCC1
InChIInChI=1S/C25H36N4O/c1-4-14-28(15-5-1)19-21-8-10-22(11-9-21)25-26-24(27-30-25)18-20-12-16-29(17-13-20)23-6-2-3-7-23/h8-11,20,23H,1-7,12-19H2
InChIKeyQMDOVDMYTCAPQS-UHFFFAOYSA-N
XLogP4.92
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(4-methylphenyl)-3-[(3-piperidin-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 91840884
3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 166250872
5-[[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138380020
3-[[4-[(4-ethylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 4685200
1-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851270
4-[3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 56703730
[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
CID 62020620
3-[4-(1-benzylpiperidin-4-yl)butyl]-5-(4-nitrophenyl)-1,2,4-oxadiazole
CID 19959291
2-(4-chlorophenyl)-4-[(4-cyclohexylpiperazin-1-yl)methyl]-1,3-oxazole
CID 73387385
5-(4-cyclohexylphenyl)-3-(1-cyclopropylpiperidin-4-yl)-1,2,4-oxadiazole
CID 59657734
5-(1-cyclohexyltriazol-4-yl)-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56894271
cyclopentyl-[(3R)-3-[(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 164634616

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 59657770) is 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is c1cc(-c2nc(CC3CCN(C4CCCC4)CC3)no2)ccc1CN1CCCCC1.
What is the InChIKey of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is QMDOVDMYTCAPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-4-14-28(15-5-1)19-21-8-10-22(11-9-21)25-26-24(27-30-25)18-20-12-16-29(17-13-20)23-6-2-3-7-23/h8-11,20,23H,1-7,12-19H2.
What are the key properties of 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 408.59 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpiperidin-4-yl)methyl]-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 59657770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).