[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone

C18H24N2O — CID 65310492

IUPAC[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCc1ccc(C#CCN)cc1C(=O)N1CCC(C)CC1C
InChIInChI=1S/C18H24N2O/c1-13-8-10-20(15(3)11-13)18(21)17-12-16(5-4-9-19)7-6-14(17)2/h6-7,12-13,15H,8-11,19H2,1-3H3
InChIKeyYWIBDWAMMHSBCE-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.57
Rot. Bonds1

About [5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone

[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone (PubChem CID 65310492) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is [5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone
PubChem CID65310492
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone
SMILESCc1ccc(C#CCN)cc1C(=O)N1CCC(C)CC1C
InChIInChI=1S/C18H24N2O/c1-13-8-10-20(15(3)11-13)18(21)17-12-16(5-4-9-19)7-6-14(17)2/h6-7,12-13,15H,8-11,19H2,1-3H3
InChIKeyYWIBDWAMMHSBCE-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 65311065
[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 65310484
[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-(2-methylazepan-1-yl)methanone
CID 65310871
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone
CID 102787042
[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 65310292
[5-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methylpiperidin-1-yl)methanone
CID 60820959
(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62332096
[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-(3-methylmorpholin-4-yl)methanone
CID 65311233
[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 65309933
[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-(4-methylazepan-1-yl)methanone
CID 65311058
5-(3-aminoprop-1-ynyl)-N-cyclohexyl-2-methylbenzamide
CID 65310682
(2-ethylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone
CID 65311090

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone (CID 65310492) is [5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone is Cc1ccc(C#CCN)cc1C(=O)N1CCC(C)CC1C.
What is the InChIKey of [5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone?
The InChIKey is YWIBDWAMMHSBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-8-10-20(15(3)11-13)18(21)17-12-16(5-4-9-19)7-6-14(17)2/h6-7,12-13,15H,8-11,19H2,1-3H3.
What are the key properties of [5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone?
[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone has a molecular weight of 284.40 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminoprop-1-ynyl)-2-methylphenyl]-(2,4-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 65310492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).