2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid

C25H30N4O7 — CID 3240011

IUPAC2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c2c(nc3c1CCC3)CCCC2.O=C(O)C(=O)O
InChIInChI=1S/C23H28N4O3.C2H2O4/c28-21(15-26-10-12-27(13-11-26)23(29)20-9-4-14-30-20)25-22-16-5-1-2-7-18(16)24-19-8-3-6-17(19)22;3-1(4)2(5)6/h4,9,14H,1-3,5-8,10-13,15H2,(H,24,25,28);(H,3,4)(H,5,6)
InChIKeyVLEDNPCWYBSEIF-UHFFFAOYSA-N
MW498.54 g/mol
LogP1.59
Rot. Bonds4

About 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid (PubChem CID 3240011) has the molecular formula C25H30N4O7 and a molecular weight of 498.54 g/mol. Its IUPAC name is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid
PubChem CID3240011
Molecular FormulaC25H30N4O7
Molecular Weight498.54 g/mol
Exact Mass498.21
IUPAC Name2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c2c(nc3c1CCC3)CCCC2.O=C(O)C(=O)O
InChIInChI=1S/C23H28N4O3.C2H2O4/c28-21(15-26-10-12-27(13-11-26)23(29)20-9-4-14-30-20)25-22-16-5-1-2-7-18(16)24-19-8-3-6-17(19)22;3-1(4)2(5)6/h4,9,14H,1-3,5-8,10-13,15H2,(H,24,25,28);(H,3,4)(H,5,6)
InChIKeyVLEDNPCWYBSEIF-UHFFFAOYSA-N
XLogP1.59
TPSA153.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid with MolForge

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-(2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-trien-8-yl)-2-morpholin-4-ylacetamide;oxalic acid
CID 3236741
N-(2-ethyl-6-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932507
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8704277
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-2-pyrrolidin-1-ylacetamide;oxalic acid
CID 6456059
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 5205501
N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
N-(2-fluoro-4-methylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932787
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859131
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid?
The IUPAC name of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid (CID 3240011) is 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid.
What is the SMILES notation for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid?
The canonical SMILES for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid is O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1c2c(nc3c1CCC3)CCCC2.O=C(O)C(=O)O.
What is the InChIKey of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid?
The InChIKey is VLEDNPCWYBSEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3.C2H2O4/c28-21(15-26-10-12-27(13-11-26)23(29)20-9-4-14-30-20)25-22-16-5-1-2-7-18(16)24-19-8-3-6-17(19)22;3-1(4)2(5)6/h4,9,14H,1-3,5-8,10-13,15H2,(H,24,25,28);(H,3,4)(H,5,6).
What are the key properties of 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid?
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid has a molecular weight of 498.54 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)acetamide;oxalic acid is sourced from PubChem (CID 3240011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).