2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid

C19H21N3O4 — CID 167887560

IUPAC2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CC1CCN(C(=O)c2cnc(C3CC3)nc2)CC1
InChIInChI=1S/C19H21N3O4/c23-18(14-10-20-17(21-11-14)13-1-2-13)22-6-3-12(4-7-22)9-16-15(19(24)25)5-8-26-16/h5,8,10-13H,1-4,6-7,9H2,(H,24,25)
InChIKeyIIWIJBRYVVLRKS-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.74
Rot. Bonds5

About 2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid

2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid (PubChem CID 167887560) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid
PubChem CID167887560
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CC1CCN(C(=O)c2cnc(C3CC3)nc2)CC1
InChIInChI=1S/C19H21N3O4/c23-18(14-10-20-17(21-11-14)13-1-2-13)22-6-3-12(4-7-22)9-16-15(19(24)25)5-8-26-16/h5,8,10-13H,1-4,6-7,9H2,(H,24,25)
InChIKeyIIWIJBRYVVLRKS-UHFFFAOYSA-N
XLogP2.74
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid (CID 167887560) is 2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1CC1CCN(C(=O)c2cnc(C3CC3)nc2)CC1.
What is the InChIKey of 2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid?
The InChIKey is IIWIJBRYVVLRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-18(14-10-20-17(21-11-14)13-1-2-13)22-6-3-12(4-7-22)9-16-15(19(24)25)5-8-26-16/h5,8,10-13H,1-4,6-7,9H2,(H,24,25).
What are the key properties of 2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid?
2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-cyclopropylpyrimidine-5-carbonyl)piperidin-4-yl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 167887560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).