N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide

C20H23N3O5 — CID 25162180

IUPACN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H23N3O5/c1-27-16-6-3-2-5-15(16)19(25)21-9-8-18(24)22-10-12-23(13-11-22)20(26)17-7-4-14-28-17/h2-7,14H,8-13H2,1H3,(H,21,25)
InChIKeyZGSISQLLROPTJC-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.39
Rot. Bonds6

About N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide

N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide (PubChem CID 25162180) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide
PubChem CID25162180
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H23N3O5/c1-27-16-6-3-2-5-15(16)19(25)21-9-8-18(24)22-10-12-23(13-11-22)20(26)17-7-4-14-28-17/h2-7,14H,8-13H2,1H3,(H,21,25)
InChIKeyZGSISQLLROPTJC-UHFFFAOYSA-N
XLogP1.39
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]-3-oxopropanamide
CID 108946870
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 78794624
tert-butyl N-[3-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]carbamate
CID 108543198
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methoxybenzamide
CID 20925969
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818354
methyl 4-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797620
N'-(2-methoxybenzoyl)furan-2-carbohydrazide
CID 789942
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-(2-methylphenyl)butane-1,4-dione
CID 110414523
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021977
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 110397663
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[4-(4-benzoylpiperazin-1-yl)-4-oxobutyl]furan-2-carboxamide
CID 39757861

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide (CID 25162180) is N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is ZGSISQLLROPTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-27-16-6-3-2-5-15(16)19(25)21-9-8-18(24)22-10-12-23(13-11-22)20(26)17-7-4-14-28-17/h2-7,14H,8-13H2,1H3,(H,21,25).
What are the key properties of N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide?
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 385.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 25162180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).