5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid

C19H24N2O3 — CID 154771285

IUPAC5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid
SMILESCCc1oc(C(=O)O)cc1CN1CCN(c2ccccc2)C(C)C1
InChIInChI=1S/C19H24N2O3/c1-3-17-15(11-18(24-17)19(22)23)13-20-9-10-21(14(2)12-20)16-7-5-4-6-8-16/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,22,23)
InChIKeySRKHKKDOWKQPDW-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.25
Rot. Bonds5

About 5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid

5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 154771285) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID154771285
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid
SMILESCCc1oc(C(=O)O)cc1CN1CCN(c2ccccc2)C(C)C1
InChIInChI=1S/C19H24N2O3/c1-3-17-15(11-18(24-17)19(22)23)13-20-9-10-21(14(2)12-20)16-7-5-4-6-8-16/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,22,23)
InChIKeySRKHKKDOWKQPDW-UHFFFAOYSA-N
XLogP3.25
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 136570155
4-[(5,5-dimethyl-2,4-dihydro-1H-3-benzazepin-3-yl)methyl]-5-ethylfuran-2-carboxylic acid
CID 146135567
[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
CID 97436355
2-methyl-1-(4-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 22199601
ethyl 3-methyl-4-phenylpiperazine-1-carboxylate
CID 110658014
4-[(3-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)piperazine
CID 22199602
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide
CID 131889341
2-(4,5-diethylfuran-2-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 120686681
4-(4-benzyl-2-methylpiperazin-1-yl)-6-ethyl-2-methylpyrimidine
CID 133460996
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 63164030

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid (CID 154771285) is 5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid is CCc1oc(C(=O)O)cc1CN1CCN(c2ccccc2)C(C)C1.
What is the InChIKey of 5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is SRKHKKDOWKQPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-17-15(11-18(24-17)19(22)23)13-20-9-10-21(14(2)12-20)16-7-5-4-6-8-16/h4-8,11,14H,3,9-10,12-13H2,1-2H3,(H,22,23).
What are the key properties of 5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 154771285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).