3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid

C13H18N2O4 — CID 54989275

IUPAC3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
SMILESCC1CCC(C(N)=O)CN1Cc1ccoc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8-2-3-10(12(14)16)7-15(8)6-9-4-5-19-11(9)13(17)18/h4-5,8,10H,2-3,6-7H2,1H3,(H2,14,16)(H,17,18)
InChIKeyLZYABNREPJFGCA-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.06
Rot. Bonds4

About 3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid

3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 54989275) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID54989275
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
SMILESCC1CCC(C(N)=O)CN1Cc1ccoc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8-2-3-10(12(14)16)7-15(8)6-9-4-5-19-11(9)13(17)18/h4-5,8,10H,2-3,6-7H2,1H3,(H2,14,16)(H,17,18)
InChIKeyLZYABNREPJFGCA-UHFFFAOYSA-N
XLogP1.06
TPSA96.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80728222
(3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
CID 97246020
(3R,6R)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
CID 98853607
3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 102959446
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-6-methylpiperidine-3-carboxamide
CID 62894836
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid
CID 43628352
(3R,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95621691
(3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95621689
(3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide
CID 95302032
1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 54989482
3-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 138045770
1-[(3-amino-4-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 115557109

Frequently Asked Questions

What is the IUPAC name of 3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid (CID 54989275) is 3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid is CC1CCC(C(N)=O)CN1Cc1ccoc1C(=O)O.
What is the InChIKey of 3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is LZYABNREPJFGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-2-3-10(12(14)16)7-15(8)6-9-4-5-19-11(9)13(17)18/h4-5,8,10H,2-3,6-7H2,1H3,(H2,14,16)(H,17,18).
What are the key properties of 3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid?
3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 54989275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).