5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid

C14H22N2O3 — CID 104608599

IUPAC5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid
SMILESCC(CN1CCCCC1)NCc1cc(C(=O)O)co1
InChIInChI=1S/C14H22N2O3/c1-11(9-16-5-3-2-4-6-16)15-8-13-7-12(10-19-13)14(17)18/h7,10-11,15H,2-6,8-9H2,1H3,(H,17,18)
InChIKeyDCNVVNUONHONIC-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.94
Rot. Bonds6

About 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid

5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid (PubChem CID 104608599) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid
PubChem CID104608599
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid
SMILESCC(CN1CCCCC1)NCc1cc(C(=O)O)co1
InChIInChI=1S/C14H22N2O3/c1-11(9-16-5-3-2-4-6-16)15-8-13-7-12(10-19-13)14(17)18/h7,10-11,15H,2-6,8-9H2,1H3,(H,17,18)
InChIKeyDCNVVNUONHONIC-UHFFFAOYSA-N
XLogP1.94
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-methylsulfonylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608992
5-[(1-phenylpropan-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608921
5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
CID 62267284
N-(furan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 43749052
1-methyl-5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]pyrazole-4-carboxylic acid
CID 116630978
5-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]furan-3-carboxylic acid
CID 113432548
5-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]furan-3-carboxylic acid
CID 113432461
5-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
CID 104609285
5-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-3-carboxylic acid
CID 104609241
methyl 5-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]furan-3-carboxylate
CID 115616209
4-[(1-piperidin-1-ylpropan-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103247696
N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107972034

Frequently Asked Questions

What is the IUPAC name of 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid (CID 104608599) is 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid is CC(CN1CCCCC1)NCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid?
The InChIKey is DCNVVNUONHONIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(9-16-5-3-2-4-6-16)15-8-13-7-12(10-19-13)14(17)18/h7,10-11,15H,2-6,8-9H2,1H3,(H,17,18).
What are the key properties of 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid?
5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-piperidin-1-ylpropan-2-ylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).