[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone

C19H26N4O2 — CID 136579646

IUPAC[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
SMILESCCCN(C)c1ccc(C(=O)N2CCC(c3nc(C)no3)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-4-11-22(3)17-7-5-16(6-8-17)19(24)23-12-9-15(10-13-23)18-20-14(2)21-25-18/h5-8,15H,4,9-13H2,1-3H3
InChIKeyXMMKSUGYODEXBC-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.24
Rot. Bonds5

About [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone (PubChem CID 136579646) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
PubChem CID136579646
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
SMILESCCCN(C)c1ccc(C(=O)N2CCC(c3nc(C)no3)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-4-11-22(3)17-7-5-16(6-8-17)19(24)23-12-9-15(10-13-23)18-20-14(2)21-25-18/h5-8,15H,4,9-13H2,1-3H3
InChIKeyXMMKSUGYODEXBC-UHFFFAOYSA-N
XLogP3.24
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 47061060
[4-(methylamino)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119564141
1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 60525395
(3,4-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129348913
(6-methoxy-3-pyridinyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 154737928
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
[4-(ethylaminomethyl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone
CID 119648502
(4-hexoxy-3-methoxyphenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55885059
(4-ethoxyphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051394
[4-(dimethylamino)-3-pyridinyl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136530737
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
(2-aminophenyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119944908

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone?
The IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone (CID 136579646) is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone?
The canonical SMILES for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone is CCCN(C)c1ccc(C(=O)N2CCC(c3nc(C)no3)CC2)cc1.
What is the InChIKey of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone?
The InChIKey is XMMKSUGYODEXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-4-11-22(3)17-7-5-16(6-8-17)19(24)23-12-9-15(10-13-23)18-20-14(2)21-25-18/h5-8,15H,4,9-13H2,1-3H3.
What are the key properties of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone?
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone has a molecular weight of 342.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[4-[methyl(propyl)amino]phenyl]methanone is sourced from PubChem (CID 136579646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).