N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

C18H21N3O4 — CID 2594758

IUPACN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)CNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H21N3O4/c1-24-15-6-4-14(5-7-15)20-8-10-21(11-9-20)17(22)13-19-18(23)16-3-2-12-25-16/h2-7,12H,8-11,13H2,1H3,(H,19,23)
InChIKeyIBTZQUXFUNFOMR-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.37
Rot. Bonds5

About N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide

N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 2594758) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
PubChem CID2594758
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)CNC(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C18H21N3O4/c1-24-15-6-4-14(5-7-15)20-8-10-21(11-9-20)17(22)13-19-18(23)16-3-2-12-25-16/h2-7,12H,8-11,13H2,1H3,(H,19,23)
InChIKeyIBTZQUXFUNFOMR-UHFFFAOYSA-N
XLogP1.37
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] furan-2-carboxylate
CID 7378693
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
2-(3-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 112996017
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112996020
N-[1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55918145
N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108945089
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(furan-2-carbonylamino)acetate
CID 7824676
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxamide
CID 9243267
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 110640542
N-[2-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 53064620

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide (CID 2594758) is N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is COc1ccc(N2CCN(C(=O)CNC(=O)c3ccco3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is IBTZQUXFUNFOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-15-6-4-14(5-7-15)20-8-10-21(11-9-20)17(22)13-19-18(23)16-3-2-12-25-16/h2-7,12H,8-11,13H2,1H3,(H,19,23).
What are the key properties of N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 2594758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).