(3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid

C13H18N2O4 — CID 81120132

IUPAC(3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN(Cc1ccoc1)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-14(7-10-4-6-19-9-10)13(18)15-5-2-3-11(8-15)12(16)17/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyZRCXHOGEAQHFCL-LLVKDONJSA-N
MW266.30 g/mol
LogP1.63
Rot. Bonds3

About (3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120132) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120132
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCN(Cc1ccoc1)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H18N2O4/c1-14(7-10-4-6-19-9-10)13(18)15-5-2-3-11(8-15)12(16)17/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyZRCXHOGEAQHFCL-LLVKDONJSA-N
XLogP1.63
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(4-fluorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81117692
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744068
1-[(2-chlorophenyl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 61416776
(3R)-1-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120312
1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032088
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126254
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-3-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 56860933
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 79385471
1-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 105419749
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid (CID 81120132) is (3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid is CN(Cc1ccoc1)C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is ZRCXHOGEAQHFCL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-14(7-10-4-6-19-9-10)13(18)15-5-2-3-11(8-15)12(16)17/h4,6,9,11H,2-3,5,7-8H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[furan-3-ylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).