4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one

C21H19N3O4 — CID 11773315

IUPAC4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one
SMILESCOc1ccc(C#CC(=O)N2CCN(c3nccc4c3C(=O)OC4)CC2)cc1
InChIInChI=1S/C21H19N3O4/c1-27-17-5-2-15(3-6-17)4-7-18(25)23-10-12-24(13-11-23)20-19-16(8-9-22-20)14-28-21(19)26/h2-3,5-6,8-9H,10-14H2,1H3
InChIKeyDHAYSHJQLHIANQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.46
Rot. Bonds2

About 4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one

4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one (PubChem CID 11773315) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one
PubChem CID11773315
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one
SMILESCOc1ccc(C#CC(=O)N2CCN(c3nccc4c3C(=O)OC4)CC2)cc1
InChIInChI=1S/C21H19N3O4/c1-27-17-5-2-15(3-6-17)4-7-18(25)23-10-12-24(13-11-23)20-19-16(8-9-22-20)14-28-21(19)26/h2-3,5-6,8-9H,10-14H2,1H3
InChIKeyDHAYSHJQLHIANQ-UHFFFAOYSA-N
XLogP1.46
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-(3-phenylprop-2-ynoyl)piperazin-1-yl]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 11187071
1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 122144748
3-(4-chlorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-yn-1-one
CID 122421205
3-(4-fluorophenyl)-1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]prop-2-yn-1-one
CID 142827397
8-[4-(3-phenylprop-2-ynyl)piperazin-1-yl]-3,4-dihydropyrano[3,4-c]pyridin-1-one
CID 143061285
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-morpholin-4-yl-3-pyridinyl)methanone
CID 51210361
[4-[3-(ethylamino)-2-pyridinyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 57050933
3-(2-methoxyphenyl)-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]prop-2-yn-1-one;3-(4-methoxyphenyl)-1-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]prop-2-yn-1-one;1-[4-(2-methylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine;1-[4-(4-methylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine
CID 160948828
3-(4-ethoxyphenyl)-1-(3-fluoro-4-pyrimidin-2-ylpiperazin-1-yl)prop-2-yn-1-one
CID 10066703
(4-methoxyphenyl)-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 53182130
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847863
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one?
The IUPAC name of 4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one (CID 11773315) is 4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one.
What is the SMILES notation for 4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one?
The canonical SMILES for 4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one is COc1ccc(C#CC(=O)N2CCN(c3nccc4c3C(=O)OC4)CC2)cc1.
What is the InChIKey of 4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one?
The InChIKey is DHAYSHJQLHIANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-27-17-5-2-15(3-6-17)4-7-18(25)23-10-12-24(13-11-23)20-19-16(8-9-22-20)14-28-21(19)26/h2-3,5-6,8-9H,10-14H2,1H3.
What are the key properties of 4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one?
4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one has a molecular weight of 377.40 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(4-methoxyphenyl)prop-2-ynoyl]piperazin-1-yl]-1H-furo[3,4-c]pyridin-3-one is sourced from PubChem (CID 11773315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).