5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid

C19H22N2O4 — CID 90652511

IUPAC5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCN1CCC(C(=O)NCc2ccc(C(=O)O)o2)(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O4/c1-21-11-9-19(10-12-21,14-5-3-2-4-6-14)18(24)20-13-15-7-8-16(25-15)17(22)23/h2-8H,9-13H2,1H3,(H,20,24)(H,22,23)
InChIKeyWPIBXPRQPPBVMT-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.26
Rot. Bonds5

About 5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 90652511) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID90652511
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCN1CCC(C(=O)NCc2ccc(C(=O)O)o2)(c2ccccc2)CC1
InChIInChI=1S/C19H22N2O4/c1-21-11-9-19(10-12-21,14-5-3-2-4-6-14)18(24)20-13-15-7-8-16(25-15)17(22)23/h2-8H,9-13H2,1H3,(H,20,24)(H,22,23)
InChIKeyWPIBXPRQPPBVMT-UHFFFAOYSA-N
XLogP2.26
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119245882
ethyl 5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-2-carboxylate
CID 71976289
2-methyl-5-[[(1-phenylcyclopropanecarbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226970
5-[[(1-methylcycloheptanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527275
1-methyl-4-phenyl-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide
CID 118792538
1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide
CID 55779960
5-[[(1-thiophen-2-ylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246078
N-[(4-methylmorpholin-2-yl)methyl]-1-phenylcyclobutane-1-carboxamide
CID 49094024
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 110473133
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-4-phenylpiperidine-4-carboxamide
CID 90649518

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 90652511) is 5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid is CN1CCC(C(=O)NCc2ccc(C(=O)O)o2)(c2ccccc2)CC1.
What is the InChIKey of 5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is WPIBXPRQPPBVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-21-11-9-19(10-12-21,14-5-3-2-4-6-14)18(24)20-13-15-7-8-16(25-15)17(22)23/h2-8H,9-13H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 90652511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).