N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide

C20H25N3O4 — CID 3980124

IUPACN-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCOc1ccccc1N1CCN(C(=O)CCC(=O)NCc2ccco2)CC1
InChIInChI=1S/C20H25N3O4/c1-26-18-7-3-2-6-17(18)22-10-12-23(13-11-22)20(25)9-8-19(24)21-15-16-5-4-14-27-16/h2-7,14H,8-13,15H2,1H3,(H,21,24)
InChIKeyUMJIAXAYUYQFBJ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.03
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide

N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide (PubChem CID 3980124) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
PubChem CID3980124
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide
SMILESCOc1ccccc1N1CCN(C(=O)CCC(=O)NCc2ccco2)CC1
InChIInChI=1S/C20H25N3O4/c1-26-18-7-3-2-6-17(18)22-10-12-23(13-11-22)20(25)9-8-19(24)21-15-16-5-4-14-27-16/h2-7,14H,8-13,15H2,1H3,(H,21,24)
InChIKeyUMJIAXAYUYQFBJ-UHFFFAOYSA-N
XLogP2.03
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 110690646
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 1031541
N-(furan-2-ylmethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113161025
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 78781102
N-(furan-2-ylmethyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 42850808
4-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106508
N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108945089
N-(furan-2-ylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 1030450
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
N-[2-(furan-2-yl)ethyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111133688
(3R)-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-3-methyl-5-oxopentanamide
CID 7317240

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide (CID 3980124) is N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide is COc1ccccc1N1CCN(C(=O)CCC(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide?
The InChIKey is UMJIAXAYUYQFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-26-18-7-3-2-6-17(18)22-10-12-23(13-11-22)20(25)9-8-19(24)21-15-16-5-4-14-27-16/h2-7,14H,8-13,15H2,1H3,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide?
N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide has a molecular weight of 371.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 3980124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).