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

C21H25N3O4 — CID 113161616

IUPACN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1cccc(C)c1
InChIInChI=1S/C21H25N3O4/c1-16-5-3-6-18(13-16)14-24(17(2)25)15-20(26)22-8-10-23(11-9-22)21(27)19-7-4-12-28-19/h3-7,12-13H,8-11,14-15H2,1-2H3
InChIKeyMFODECNRPZBDAH-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.92
Rot. Bonds5

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

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 113161616) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID113161616
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1cccc(C)c1
InChIInChI=1S/C21H25N3O4/c1-16-5-3-6-18(13-16)14-24(17(2)25)15-20(26)22-8-10-23(11-9-22)21(27)19-7-4-12-28-19/h3-7,12-13H,8-11,14-15H2,1-2H3
InChIKeyMFODECNRPZBDAH-UHFFFAOYSA-N
XLogP1.92
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(3-methylbutyl)acetamide
CID 113166520
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158366
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113120600
N-(3-acetylphenyl)-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113175435
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-propylacetamide
CID 113114982
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113118624
N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123987
N-[3-(dimethylamino)propyl]-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113117863
furan-2-yl-[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]methanone
CID 110798091
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 35334673
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113161630

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide (CID 113161616) is N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide is CC(=O)N(CC(=O)N1CCN(C(=O)c2ccco2)CC1)Cc1cccc(C)c1.
What is the InChIKey of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is MFODECNRPZBDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-16-5-3-6-18(13-16)14-24(17(2)25)15-20(26)22-8-10-23(11-9-22)21(27)19-7-4-12-28-19/h3-7,12-13H,8-11,14-15H2,1-2H3.
What are the key properties of N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide?
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113161616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).