N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide

C19H21N3O5 — CID 110801888

IUPACN-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H21N3O5/c1-13(23)20-14-5-6-16(26-2)15(12-14)18(24)21-7-9-22(10-8-21)19(25)17-4-3-11-27-17/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)
InChIKeyHWHUUYRHXWMVNH-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.84
Rot. Bonds4

About N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide

N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide (PubChem CID 110801888) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
PubChem CID110801888
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H21N3O5/c1-13(23)20-14-5-6-16(26-2)15(12-14)18(24)21-7-9-22(10-8-21)19(25)17-4-3-11-27-17/h3-6,11-12H,7-10H2,1-2H3,(H,20,23)
InChIKeyHWHUUYRHXWMVNH-UHFFFAOYSA-N
XLogP1.84
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110807734
N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]acetamide
CID 110764459
methyl 4-(5-acetamido-2-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808791
N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
CID 110800478
5-chloro-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-methoxybenzamide
CID 17118184
[4-(4-amino-5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 119673070
N-[4-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 91937739
4-(furan-2-carbonyl)-N-[4-(2-methoxyphenoxy)phenyl]piperazine-1-carboxamide
CID 47033198
5-chloro-N-[[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 17358128
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502696
5-bromo-N-[[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-2-methoxybenzamide
CID 17318017
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 42671906

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide?
The IUPAC name of N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide (CID 110801888) is N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)cc1C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide?
The InChIKey is HWHUUYRHXWMVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-13(23)20-14-5-6-16(26-2)15(12-14)18(24)21-7-9-22(10-8-21)19(25)17-4-3-11-27-17/h3-6,11-12H,7-10H2,1-2H3,(H,20,23).
What are the key properties of N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide?
N-[3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide has a molecular weight of 371.39 g/mol, XLogP of 1.84, 4 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)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 110801888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).