N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide

C18H22N4O2 — CID 56909896

IUPACN-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide
SMILESCN(Cc1cccc2cnccc12)C(=O)CC1C(=O)NCCN1C
InChIInChI=1S/C18H22N4O2/c1-21-9-8-20-18(24)16(21)10-17(23)22(2)12-14-5-3-4-13-11-19-7-6-15(13)14/h3-7,11,16H,8-10,12H2,1-2H3,(H,20,24)
InChIKeyLQUJIJWZJIIRQI-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.01
Rot. Bonds4

About N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide

N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide (PubChem CID 56909896) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide
PubChem CID56909896
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide
SMILESCN(Cc1cccc2cnccc12)C(=O)CC1C(=O)NCCN1C
InChIInChI=1S/C18H22N4O2/c1-21-9-8-20-18(24)16(21)10-17(23)22(2)12-14-5-3-4-13-11-19-7-6-15(13)14/h3-7,11,16H,8-10,12H2,1-2H3,(H,20,24)
InChIKeyLQUJIJWZJIIRQI-UHFFFAOYSA-N
XLogP1.01
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 45190242
N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 91773741
3-acetamido-N-(isoquinolin-5-ylmethyl)-N-methylpropanamide
CID 131927016
N-(isoquinolin-5-ylmethyl)-N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 70747961
N-methyl-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(quinolin-5-ylmethyl)acetamide
CID 45173311
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-(isoquinolin-5-ylmethyl)-N-methylacetamide
CID 70763275
N-(isoquinolin-5-ylmethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 70773424
N-(isoquinolin-5-ylmethyl)-N-methyl-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 72862091
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide
CID 70722014
N-methyl-2-[3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 45197561
N-methyl-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 56905914

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide (CID 56909896) is N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide is CN(Cc1cccc2cnccc12)C(=O)CC1C(=O)NCCN1C.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide?
The InChIKey is LQUJIJWZJIIRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21-9-8-20-18(24)16(21)10-17(23)22(2)12-14-5-3-4-13-11-19-7-6-15(13)14/h3-7,11,16H,8-10,12H2,1-2H3,(H,20,24).
What are the key properties of N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide?
N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-N-methyl-2-(1-methyl-3-oxopiperazin-2-yl)acetamide is sourced from PubChem (CID 56909896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).