1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one

C19H22ClN3O3 — CID 138057030

IUPAC1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one
SMILESO=C(Cc1coc2cc(Cl)ccc12)N1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C19H22ClN3O3/c20-14-3-4-16-13(12-26-17(16)9-14)8-18(24)22-6-1-2-15(11-22)23-7-5-21-10-19(23)25/h3-4,9,12,15,21H,1-2,5-8,10-11H2
InChIKeyJGTFAFKQVOPMJF-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.05
Rot. Bonds3

About 1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one

1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one (PubChem CID 138057030) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one
PubChem CID138057030
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one
SMILESO=C(Cc1coc2cc(Cl)ccc12)N1CCCC(N2CCNCC2=O)C1
InChIInChI=1S/C19H22ClN3O3/c20-14-3-4-16-13(12-26-17(16)9-14)8-18(24)22-6-1-2-15(11-22)23-7-5-21-10-19(23)25/h3-4,9,12,15,21H,1-2,5-8,10-11H2
InChIKeyJGTFAFKQVOPMJF-UHFFFAOYSA-N
XLogP2.05
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methyl-1-benzofuran-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124964719
2-(5-chloro-2-hydroxyphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 154873747
2-(1-benzofuran-3-yl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 115276986
1-[(3R)-1-[(2S,3S)-2-methylpiperidine-3-carbonyl]piperidin-3-yl]piperazin-2-one
CID 129347358
6-chloro-3-[(3S)-1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098467
3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide
CID 128751106
1-(3-aminopiperidin-1-yl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)ethanone
CID 119379053
2-(6-methoxy-1-benzofuran-3-yl)-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95138656
(3S)-1-[2-(6-chloro-1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 97323831
1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-3-yl]piperazin-2-one;hydrochloride
CID 126794872
N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide
CID 129009431
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 124611637

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one (CID 138057030) is 1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one is O=C(Cc1coc2cc(Cl)ccc12)N1CCCC(N2CCNCC2=O)C1.
What is the InChIKey of 1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one?
The InChIKey is JGTFAFKQVOPMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c20-14-3-4-16-13(12-26-17(16)9-14)8-18(24)22-6-1-2-15(11-22)23-7-5-21-10-19(23)25/h3-4,9,12,15,21H,1-2,5-8,10-11H2.
What are the key properties of 1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one?
1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one has a molecular weight of 375.86 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(6-chloro-1-benzofuran-3-yl)acetyl]piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 138057030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).