3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid

C19H22N2O4 — CID 146136645

IUPAC3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H22N2O4/c22-18(20-12-14-4-2-1-3-5-14)15-6-9-21(10-7-15)13-16-8-11-25-17(16)19(23)24/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,22)(H,23,24)
InChIKeyGKMDJLCPRNQPBO-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.51
Rot. Bonds6

About 3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid

3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 146136645) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid
PubChem CID146136645
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1CCC(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C19H22N2O4/c22-18(20-12-14-4-2-1-3-5-14)15-6-9-21(10-7-15)13-16-8-11-25-17(16)19(23)24/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,22)(H,23,24)
InChIKeyGKMDJLCPRNQPBO-UHFFFAOYSA-N
XLogP2.51
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
N-benzyl-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 47012415
N-benzyl-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 26653391
methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 27107110
1-[(2-chlorophenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917643
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-[(2-fluorophenyl)methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917779
1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 136579023
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1080800
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328645

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid (CID 146136645) is 3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid is O=C(O)c1occc1CN1CCC(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is GKMDJLCPRNQPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-18(20-12-14-4-2-1-3-5-14)15-6-9-21(10-7-15)13-16-8-11-25-17(16)19(23)24/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,20,22)(H,23,24).
What are the key properties of 3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid?
3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 342.39 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 146136645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).