N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide

C21H23N3O5 — CID 113175435

IUPACN-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)c1cccc(N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C(C)=O)c1
InChIInChI=1S/C21H23N3O5/c1-15(25)17-5-3-6-18(13-17)24(16(2)26)14-20(27)22-8-10-23(11-9-22)21(28)19-7-4-12-29-19/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyWVPVFNMUMUXOPI-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.82
Rot. Bonds5

About N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide

N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 113175435) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID113175435
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC NameN-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)c1cccc(N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C(C)=O)c1
InChIInChI=1S/C21H23N3O5/c1-15(25)17-5-3-6-18(13-17)24(16(2)26)14-20(27)22-8-10-23(11-9-22)21(28)19-7-4-12-29-19/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyWVPVFNMUMUXOPI-UHFFFAOYSA-N
XLogP1.82
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-N-[2-(azepan-1-yl)-2-oxoethyl]acetamide
CID 113175452
N-(3-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113132400
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158366
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113161616
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123987
N-(4-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126885
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide
CID 113166520
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methoxyphenyl)acetamide
CID 113129105
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120600
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
CID 113114982
N-(3-fluorophenyl)-2-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 8006283
[4-[5-(diethylamino)pyridine-3-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109238550

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide (CID 113175435) is N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)c1cccc(N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is WVPVFNMUMUXOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-15(25)17-5-3-6-18(13-17)24(16(2)26)14-20(27)22-8-10-23(11-9-22)21(28)19-7-4-12-29-19/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide?
N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 397.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 113175435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).