N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide

C18H23N3O2 — CID 167863033

IUPACN-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide
SMILESCc1ccc2ccnc(NC(=O)COC3CCN(C)CC3)c2c1
InChIInChI=1S/C18H23N3O2/c1-13-3-4-14-5-8-19-18(16(14)11-13)20-17(22)12-23-15-6-9-21(2)10-7-15/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,19,20,22)
InChIKeyPUEIBAUHVQRAJE-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.59
Rot. Bonds4

About N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide

N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide (PubChem CID 167863033) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide
PubChem CID167863033
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide
SMILESCc1ccc2ccnc(NC(=O)COC3CCN(C)CC3)c2c1
InChIInChI=1S/C18H23N3O2/c1-13-3-4-14-5-8-19-18(16(14)11-13)20-17(22)12-23-15-6-9-21(2)10-7-15/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,19,20,22)
InChIKeyPUEIBAUHVQRAJE-UHFFFAOYSA-N
XLogP2.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide?
The IUPAC name of N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide (CID 167863033) is N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide.
What is the SMILES notation for N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide?
The canonical SMILES for N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide is Cc1ccc2ccnc(NC(=O)COC3CCN(C)CC3)c2c1.
What is the InChIKey of N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide?
The InChIKey is PUEIBAUHVQRAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-3-4-14-5-8-19-18(16(14)11-13)20-17(22)12-23-15-6-9-21(2)10-7-15/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,19,20,22).
What are the key properties of N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide?
N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide has a molecular weight of 313.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methylisoquinolin-1-yl)-2-(1-methylpiperidin-4-yl)oxyacetamide is sourced from PubChem (CID 167863033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).