1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide

C20H26N4O2 — CID 24851771

IUPAC1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCCc2c[nH]c3ccc4c(c23)CCNC4=O)CC1
InChIInChI=1S/C20H26N4O2/c1-24-10-6-13(7-11-24)19(25)21-8-4-14-12-23-17-3-2-16-15(18(14)17)5-9-22-20(16)26/h2-3,12-13,23H,4-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyAEYPVXZFCDOPOH-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.45
Rot. Bonds4

About 1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide

1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 24851771) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID24851771
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCN1CCC(C(=O)NCCc2c[nH]c3ccc4c(c23)CCNC4=O)CC1
InChIInChI=1S/C20H26N4O2/c1-24-10-6-13(7-11-24)19(25)21-8-4-14-12-23-17-3-2-16-15(18(14)17)5-9-22-20(16)26/h2-3,12-13,23H,4-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyAEYPVXZFCDOPOH-UHFFFAOYSA-N
XLogP1.45
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide (CID 24851771) is 1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide is CN1CCC(C(=O)NCCc2c[nH]c3ccc4c(c23)CCNC4=O)CC1.
What is the InChIKey of 1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is AEYPVXZFCDOPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-24-10-6-13(7-11-24)19(25)21-8-4-14-12-23-17-3-2-16-15(18(14)17)5-9-22-20(16)26/h2-3,12-13,23H,4-11H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide?
1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 24851771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).