3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one

C20H23N3O3 — CID 36513690

IUPAC3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one
SMILESO=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C20H23N3O3/c24-18-16-8-4-3-7-15(16)13-17(21-18)20(26)23-11-9-22(10-12-23)19(25)14-5-1-2-6-14/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,21,24)
InChIKeyGTZYOGBGZLKZIN-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.00
Rot. Bonds2

About 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one

3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one (PubChem CID 36513690) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one
PubChem CID36513690
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one
SMILESO=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C20H23N3O3/c24-18-16-8-4-3-7-15(16)13-17(21-18)20(26)23-11-9-22(10-12-23)19(25)14-5-1-2-6-14/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,21,24)
InChIKeyGTZYOGBGZLKZIN-UHFFFAOYSA-N
XLogP2.00
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 36548987
3-(4-pyridin-4-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
CID 56810086
3-[4-(2-hydroxy-2-methylpropyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 70848758
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one;hydrochloride
CID 119542618
3-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2H-isoquinolin-1-one
CID 33112769
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2H-isoquinolin-1-one
CID 120660187
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119314153
3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2H-isoquinolin-1-one
CID 95580359
5-methyl-1-(1-oxo-2H-isoquinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122119148
[4-[4-(anthracene-9-carbonyl)piperazin-1-yl]piperidin-1-yl]-cyclohexylmethanone
CID 46880209
N-benzyl-2-[4-(1-oxo-2H-isoquinoline-3-carbonyl)piperazin-1-yl]acetamide
CID 37118871
3-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95309669

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one?
The IUPAC name of 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one (CID 36513690) is 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one.
What is the SMILES notation for 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one?
The canonical SMILES for 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one is O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one?
The InChIKey is GTZYOGBGZLKZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-18-16-8-4-3-7-15(16)13-17(21-18)20(26)23-11-9-22(10-12-23)19(25)14-5-1-2-6-14/h3-4,7-8,13-14H,1-2,5-6,9-12H2,(H,21,24).
What are the key properties of 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one?
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one has a molecular weight of 353.42 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one is sourced from PubChem (CID 36513690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).