1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid

C16H21N3O3 — CID 53212199

IUPAC1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCCc1nc(N2CCCC(C(=O)O)C2)c2c(C)c(C)oc2n1
InChIInChI=1S/C16H21N3O3/c1-4-12-17-14(13-9(2)10(3)22-15(13)18-12)19-7-5-6-11(8-19)16(20)21/h11H,4-8H2,1-3H3,(H,20,21)
InChIKeyPGOICNDOCFETNH-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.70
Rot. Bonds3

About 1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid

1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 53212199) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID53212199
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCCc1nc(N2CCCC(C(=O)O)C2)c2c(C)c(C)oc2n1
InChIInChI=1S/C16H21N3O3/c1-4-12-17-14(13-9(2)10(3)22-15(13)18-12)19-7-5-6-11(8-19)16(20)21/h11H,4-8H2,1-3H3,(H,20,21)
InChIKeyPGOICNDOCFETNH-UHFFFAOYSA-N
XLogP2.70
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-cyclopentyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866437
(3R)-N-cyclooctyl-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866435
(3R)-N-[(3-methylphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866503
(3S)-N-(4-methylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866568
N-(2-phenylpropyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290253
(3S)-N-(pyridin-3-ylmethyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866408
(3R)-N-[(3-fluorophenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866611
(3R)-N-[(4-methoxyphenyl)methyl]-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866465
N-(1,1-dioxothiolan-3-yl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 46290279
(3S)-N-(4-acetylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866404
(3R)-N-(4-acetylphenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866403
ethyl 1-(2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 91965516

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid (CID 53212199) is 1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid is CCc1nc(N2CCCC(C(=O)O)C2)c2c(C)c(C)oc2n1.
What is the InChIKey of 1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is PGOICNDOCFETNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-12-17-14(13-9(2)10(3)22-15(13)18-12)19-7-5-6-11(8-19)16(20)21/h11H,4-8H2,1-3H3,(H,20,21).
What are the key properties of 1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 53212199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).