2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

C13H22N4O — CID 54885767

IUPAC2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCC(C3CCCN3)C2)o1
InChIInChI=1S/C13H22N4O/c1-10-15-16-13(18-10)9-17-7-3-4-11(8-17)12-5-2-6-14-12/h11-12,14H,2-9H2,1H3
InChIKeyDDKPOZWVBLUQHV-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.34
Rot. Bonds3

About 2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole

2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 54885767) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID54885767
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCC(C3CCCN3)C2)o1
InChIInChI=1S/C13H22N4O/c1-10-15-16-13(18-10)9-17-7-3-4-11(8-17)12-5-2-6-14-12/h11-12,14H,2-9H2,1H3
InChIKeyDDKPOZWVBLUQHV-UHFFFAOYSA-N
XLogP1.34
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 86789362
1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
CID 43556526
N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine
CID 123667873
1-[(5-Propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
CID 155180044
(3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine
CID 170109329
2-Methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole
CID 176763956
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
CID 43607730
2-Methyl-5-[1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 53596814
2-Ethyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 54885766
1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 55167770
2-Ethyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 55169739
N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 55173881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole (CID 54885767) is 2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is Cc1nnc(CN2CCCC(C3CCCN3)C2)o1.
What is the InChIKey of 2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is DDKPOZWVBLUQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-15-16-13(18-10)9-17-7-3-4-11(8-17)12-5-2-6-14-12/h11-12,14H,2-9H2,1H3.
What are the key properties of 2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole?
2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 250.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 54885767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).