1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C13H24N4O — CID 115077206

IUPAC1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCCN1CCC(c2nc(CC(C)NC)no2)CC1
InChIInChI=1S/C13H24N4O/c1-4-17-7-5-11(6-8-17)13-15-12(16-18-13)9-10(2)14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyMISBDAVMANBSHI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.42
Rot. Bonds5

About 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 115077206) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID115077206
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCCN1CCC(c2nc(CC(C)NC)no2)CC1
InChIInChI=1S/C13H24N4O/c1-4-17-7-5-11(6-8-17)13-15-12(16-18-13)9-10(2)14-3/h10-11,14H,4-9H2,1-3H3
InChIKeyMISBDAVMANBSHI-UHFFFAOYSA-N
XLogP1.42
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115077179
1-[5-(1-benzylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866988
2-[5-(1-ethylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 115077042
1-[5-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868560
1-[5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120864866
2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120867629
1-[5-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866304
N-methyl-1-[5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078063
[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120865692
1-[5-[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866898
1-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 120869328
(4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 120864845

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 115077206) is 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CCN1CCC(c2nc(CC(C)NC)no2)CC1.
What is the InChIKey of 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is MISBDAVMANBSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-17-7-5-11(6-8-17)13-15-12(16-18-13)9-10(2)14-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 252.36 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 115077206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).