1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine

C9H16N4O — CID 103649301

IUPAC1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine
SMILESCN1CCC(NCc2ncon2)CC1
InChIInChI=1S/C9H16N4O/c1-13-4-2-8(3-5-13)10-6-9-11-7-14-12-9/h7-8,10H,2-6H2,1H3
InChIKeyMLKKSWMGQXQOLY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.25
Rot. Bonds3

About 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine

1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine (PubChem CID 103649301) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine
PubChem CID103649301
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine
SMILESCN1CCC(NCc2ncon2)CC1
InChIInChI=1S/C9H16N4O/c1-13-4-2-8(3-5-13)10-6-9-11-7-14-12-9/h7-8,10H,2-6H2,1H3
InChIKeyMLKKSWMGQXQOLY-UHFFFAOYSA-N
XLogP0.25
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,4-oxadiazol-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 106392900
1-(1-methylpiperidin-4-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393094
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 60694528
N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine
CID 106394026
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine
CID 65070599
N-[[3,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 43648107
1-methyl-N-[(4-trimethylsilylphenyl)methyl]piperidin-4-amine
CID 103437564
1-methyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43663386
N-ethyl-2-methyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine
CID 106402270
3-(2-methylphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
CID 106393976
3-(2-chlorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutan-1-amine
CID 114183034
1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393050

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine (CID 103649301) is 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine is CN1CCC(NCc2ncon2)CC1.
What is the InChIKey of 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine?
The InChIKey is MLKKSWMGQXQOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-4-2-8(3-5-13)10-6-9-11-7-14-12-9/h7-8,10H,2-6H2,1H3.
What are the key properties of 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine?
1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine has a molecular weight of 196.25 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 103649301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).