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

C13H18N2O3 — CID 61441416

IUPAC3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1CCN(C2CC2)CC1
InChIInChI=1S/C13H18N2O3/c16-13(17)12-10(3-8-18-12)9-14-4-6-15(7-5-14)11-1-2-11/h3,8,11H,1-2,4-7,9H2,(H,16,17)
InChIKeyQKBXRTVRMLDALK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.26
Rot. Bonds4

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

3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid (PubChem CID 61441416) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid
PubChem CID61441416
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CN1CCN(C2CC2)CC1
InChIInChI=1S/C13H18N2O3/c16-13(17)12-10(3-8-18-12)9-14-4-6-15(7-5-14)11-1-2-11/h3,8,11H,1-2,4-7,9H2,(H,16,17)
InChIKeyQKBXRTVRMLDALK-UHFFFAOYSA-N
XLogP1.26
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153189
3-(thiomorpholin-4-ylmethyl)furan-2-carboxylic acid
CID 43153219
3-[(4-oxopiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61345549
3-(piperazin-1-ylmethyl)furan-2-carboxylic acid;dihydrochloride
CID 50988437
3-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 102959446
3-[[4-(2-phenylethyl)piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 167982801
3-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 103356684
3-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]furan-2-carboxylic acid
CID 146136645
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-2-carboxylic acid
CID 43628352
3-[[(3aR,9aS)-5,8-difluoro-1,3,3a,9a-tetrahydro-[1,4]benzodioxino[2,3-c]pyrrol-2-yl]methyl]furan-2-carboxylic acid
CID 167963621
3-[(4-hydroxypiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63570591
3-[(2,6-dioxopiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 43447565

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid (CID 61441416) is 3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid is O=C(O)c1occc1CN1CCN(C2CC2)CC1.
What is the InChIKey of 3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
The InChIKey is QKBXRTVRMLDALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-13(17)12-10(3-8-18-12)9-14-4-6-15(7-5-14)11-1-2-11/h3,8,11H,1-2,4-7,9H2,(H,16,17).
What are the key properties of 3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid?
3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carboxylic acid is sourced from PubChem (CID 61441416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).