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

C19H24N4O2 — CID 45273550

IUPACN-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide
SMILESO=C1NCCc2c1ccc1[nH]cc(CCNC(=O)C3CCNCC3)c21
InChIInChI=1S/C19H24N4O2/c24-18(12-3-7-20-8-4-12)21-9-5-13-11-23-16-2-1-15-14(17(13)16)6-10-22-19(15)25/h1-2,11-12,20,23H,3-10H2,(H,21,24)(H,22,25)
InChIKeyHUTMGRZOYAWBHA-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.11
Rot. Bonds4

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

N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 45273550) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID45273550
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide
SMILESO=C1NCCc2c1ccc1[nH]cc(CCNC(=O)C3CCNCC3)c21
InChIInChI=1S/C19H24N4O2/c24-18(12-3-7-20-8-4-12)21-9-5-13-11-23-16-2-1-15-14(17(13)16)6-10-22-19(15)25/h1-2,11-12,20,23H,3-10H2,(H,21,24)(H,22,25)
InChIKeyHUTMGRZOYAWBHA-UHFFFAOYSA-N
XLogP1.11
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide (CID 45273550) is 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 N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide is O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)C3CCNCC3)c21.
What is the InChIKey of N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is HUTMGRZOYAWBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18(12-3-7-20-8-4-12)21-9-5-13-11-23-16-2-1-15-14(17(13)16)6-10-22-19(15)25/h1-2,11-12,20,23H,3-10H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide?
N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 45273550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).