N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide

C19H23N3O3 — CID 46538728

IUPACN-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H23N3O3/c1-15-5-2-3-7-17(15)19(24)20-13-18(23)22-10-8-21(9-11-22)14-16-6-4-12-25-16/h2-7,12H,8-11,13-14H2,1H3,(H,20,24)
InChIKeyUGCYGPANHAENBD-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.66
Rot. Bonds5

About N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide

N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide (PubChem CID 46538728) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
PubChem CID46538728
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H23N3O3/c1-15-5-2-3-7-17(15)19(24)20-13-18(23)22-10-8-21(9-11-22)14-16-6-4-12-25-16/h2-7,12H,8-11,13-14H2,1H3,(H,20,24)
InChIKeyUGCYGPANHAENBD-UHFFFAOYSA-N
XLogP1.66
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 51269811
2-amino-N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 60939107
2-methyl-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 46523795
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 126476688
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
2-(2-bromophenyl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 113073906
2-methyl-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
CID 51269825
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51164195
N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106397

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide (CID 46538728) is N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is UGCYGPANHAENBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-15-5-2-3-7-17(15)19(24)20-13-18(23)22-10-8-21(9-11-22)14-16-6-4-12-25-16/h2-7,12H,8-11,13-14H2,1H3,(H,20,24).
What are the key properties of N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide?
N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 341.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 46538728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).