2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one

C16H28N4O2 — CID 120867629

IUPAC2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCC(c2nc(CC(C)NC)no2)C1
InChIInChI=1S/C16H28N4O2/c1-5-11(2)16(21)20-8-6-7-13(10-20)15-18-14(19-22-15)9-12(3)17-4/h11-13,17H,5-10H2,1-4H3
InChIKeyNRTVOKRGFAZJSV-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.97
Rot. Bonds6

About 2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one

2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one (PubChem CID 120867629) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
PubChem CID120867629
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCC(c2nc(CC(C)NC)no2)C1
InChIInChI=1S/C16H28N4O2/c1-5-11(2)16(21)20-8-6-7-13(10-20)15-18-14(19-22-15)9-12(3)17-4/h11-13,17H,5-10H2,1-4H3
InChIKeyNRTVOKRGFAZJSV-UHFFFAOYSA-N
XLogP1.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

(4-chlorophenyl)-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 120864845
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120854425
1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 115077206
(3S)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 97193337
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349
methyl N-[(2R)-4-methyl-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 95153308
1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 56728197
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 95227905
[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120865692
2-cyclohexyl-N-[4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide
CID 120868220
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
N-methyl-1-[5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078063

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
The IUPAC name of 2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one (CID 120867629) is 2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one is CCC(C)C(=O)N1CCCC(c2nc(CC(C)NC)no2)C1.
What is the InChIKey of 2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
The InChIKey is NRTVOKRGFAZJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-11(2)16(21)20-8-6-7-13(10-20)15-18-14(19-22-15)9-12(3)17-4/h11-13,17H,5-10H2,1-4H3.
What are the key properties of 2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one?
2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one has a molecular weight of 308.43 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 120867629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).