N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C17H23N3O2 — CID 119287180

IUPACN-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)C1Cc2ccccc2CN1
InChIInChI=1S/C17H23N3O2/c21-16(20-8-4-1-5-9-20)12-19-17(22)15-10-13-6-2-3-7-14(13)11-18-15/h2-3,6-7,15,18H,1,4-5,8-12H2,(H,19,22)
InChIKeyOLTXVZUDJGIOTJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.83
Rot. Bonds3

About N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 119287180) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID119287180
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)C1Cc2ccccc2CN1
InChIInChI=1S/C17H23N3O2/c21-16(20-8-4-1-5-9-20)12-19-17(22)15-10-13-6-2-3-7-14(13)11-18-15/h2-3,6-7,15,18H,1,4-5,8-12H2,(H,19,22)
InChIKeyOLTXVZUDJGIOTJ-UHFFFAOYSA-N
XLogP0.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119287179
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119277751
N-(3-morpholin-4-yl-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119277750
N-[2-(ethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119271421
(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104874033
(3S)-N-(2,2-difluoro-3-hydroxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106176629
N-(2,2-dimethoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61274907
(3R)-N-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61158740
(3R)-N-(2-hydroxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 113492215
(3R)-N-(2-methylsulfanylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 113466541

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 119287180) is N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(NCC(=O)N1CCCCC1)C1Cc2ccccc2CN1.
What is the InChIKey of N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is OLTXVZUDJGIOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(20-8-4-1-5-9-20)12-19-17(22)15-10-13-6-2-3-7-14(13)11-18-15/h2-3,6-7,15,18H,1,4-5,8-12H2,(H,19,22).
What are the key properties of N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 119287180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).