[3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone

C18H24N4O2 — CID 47081265

IUPAC[3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1noc(CNc2ccc(C(=O)N3CCCC(C)C3)cc2C)n1
InChIInChI=1S/C18H24N4O2/c1-12-5-4-8-22(11-12)18(23)15-6-7-16(13(2)9-15)19-10-17-20-14(3)21-24-17/h6-7,9,12,19H,4-5,8,10-11H2,1-3H3
InChIKeyKMRVAYGEKYXOAT-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.17
Rot. Bonds4

About [3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone

[3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 47081265) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID47081265
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1noc(CNc2ccc(C(=O)N3CCCC(C)C3)cc2C)n1
InChIInChI=1S/C18H24N4O2/c1-12-5-4-8-22(11-12)18(23)15-6-7-16(13(2)9-15)19-10-17-20-14(3)21-24-17/h6-7,9,12,19H,4-5,8,10-11H2,1-3H3
InChIKeyKMRVAYGEKYXOAT-UHFFFAOYSA-N
XLogP3.17
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

N-(4-isopropylphenyl)-2-(3-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)acetamide
CID 16022751
1-(4-{4-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl}phenyl)ethanone
CID 16188569
3-methyl-4-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 1247926
N-(2,4-dimethylphenyl)-2-(2,4-dioxo-3-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)-3,4-dihydroquinazolin-1(2H)-yl)acetamide
CID 16022785
2-(3-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)-N-(2-(trifluoromethyl)phenyl)acetamide
CID 16022719
2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 42946051
N-(2,6-dimethylphenyl)-2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]acetamide
CID 45807693
2-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]-N-(4-methylphenyl)acetamide
CID 47022427
4-(4-ethylpiperazin-1-yl)-2-methyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 47027549
N,N-dimethyl-2-[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]phenyl]acetamide
CID 47077683
N,N-dimethyl-2-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
CID 47077684
2-[2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-N,N-dimethylacetamide
CID 47077686

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone (CID 47081265) is [3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone is Cc1noc(CNc2ccc(C(=O)N3CCCC(C)C3)cc2C)n1.
What is the InChIKey of [3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is KMRVAYGEKYXOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-5-4-8-22(11-12)18(23)15-6-7-16(13(2)9-15)19-10-17-20-14(3)21-24-17/h6-7,9,12,19H,4-5,8,10-11H2,1-3H3.
What are the key properties of [3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone?
[3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 47081265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).