4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one

C19H19ClN2O3 — CID 157387269

IUPAC4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one
SMILESO=C(C1Cc2cc(Cl)cc(-c3cc[nH]c(=O)c3)c2O1)N1CCCCC1
InChIInChI=1S/C19H19ClN2O3/c20-14-8-13-9-16(19(24)22-6-2-1-3-7-22)25-18(13)15(11-14)12-4-5-21-17(23)10-12/h4-5,8,10-11,16H,1-3,6-7,9H2,(H,21,23)
InChIKeyYAGZHHXVCBBUSW-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.01
Rot. Bonds2

About 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one

4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one (PubChem CID 157387269) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one
PubChem CID157387269
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one
SMILESO=C(C1Cc2cc(Cl)cc(-c3cc[nH]c(=O)c3)c2O1)N1CCCCC1
InChIInChI=1S/C19H19ClN2O3/c20-14-8-13-9-16(19(24)22-6-2-1-3-7-22)25-18(13)15(11-14)12-4-5-21-17(23)10-12/h4-5,8,10-11,16H,1-3,6-7,9H2,(H,21,23)
InChIKeyYAGZHHXVCBBUSW-UHFFFAOYSA-N
XLogP3.01
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

[5-chloro-7-[2-(1-hydroxyethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 157341202
[5-chloro-7-(7-methoxyquinolin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 157341200
[5-chloro-7-[7-(1-hydroxypropyl)quinolin-4-yl]-2,3-dihydro-1-benzofuran-2-yl]-piperidin-1-ylmethanone
CID 157118204
[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone
CID 162469809
[(2R)-7-(2-anilino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 160791416
[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-pyrimidin-4-ylpiperazin-1-yl)methanone
CID 159058083
[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 162469985
[(2S)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)methanone
CID 158311600
[(2R)-7-bromo-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 166554681
(4-benzyl-4-hydroxypiperidin-1-yl)-[(2S)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 161272637
[5-chloro-7-(1,6-naphthyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 161073272
azepan-1-yl-[1-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]methanone
CID 41061706

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one (CID 157387269) is 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one is O=C(C1Cc2cc(Cl)cc(-c3cc[nH]c(=O)c3)c2O1)N1CCCCC1.
What is the InChIKey of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one?
The InChIKey is YAGZHHXVCBBUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-14-8-13-9-16(19(24)22-6-2-1-3-7-22)25-18(13)15(11-14)12-4-5-21-17(23)10-12/h4-5,8,10-11,16H,1-3,6-7,9H2,(H,21,23).
What are the key properties of 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one?
4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one has a molecular weight of 358.83 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(piperidine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-1H-pyridin-2-one is sourced from PubChem (CID 157387269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).