5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid

C13H19NO3 — CID 1093415

IUPAC5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid
SMILESCCc1oc(C(=O)O)cc1CN1CCCCC1
InChIInChI=1S/C13H19NO3/c1-2-11-10(8-12(17-11)13(15)16)9-14-6-4-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,16)
InChIKeyQXIHGKIFSYGCHB-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.53
Rot. Bonds4

About 5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid

5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid (PubChem CID 1093415) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid
PubChem CID1093415
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid
SMILESCCc1oc(C(=O)O)cc1CN1CCCCC1
InChIInChI=1S/C13H19NO3/c1-2-11-10(8-12(17-11)13(15)16)9-14-6-4-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,16)
InChIKeyQXIHGKIFSYGCHB-UHFFFAOYSA-N
XLogP2.53
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6R)-6-amino-1-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]azepane-3-carboxylic acid;dihydrochloride
CID 171339464
5-ethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 46983992
2-[4-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid
CID 46982771
5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 154771285
[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
CID 97436355
4-[(5,5-dimethyl-2,4-dihydro-1H-3-benzazepin-3-yl)methyl]-5-ethylfuran-2-carboxylic acid
CID 146135567
5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 46997339
4-(azocan-1-ylmethyl)-5-methylfuran-2-carbohydrazide
CID 63570994
5-ethyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131898045
5-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 119059323
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[3-(triazol-1-yl)propyl]furan-2-carboxamide
CID 119074223
5-ethyl-N-methyl-4-(pyrrolidin-1-ylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)furan-2-carboxamide
CID 50960923

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid?
The IUPAC name of 5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid (CID 1093415) is 5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid is CCc1oc(C(=O)O)cc1CN1CCCCC1.
What is the InChIKey of 5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid?
The InChIKey is QXIHGKIFSYGCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-2-11-10(8-12(17-11)13(15)16)9-14-6-4-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,16).
What are the key properties of 5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid?
5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid is sourced from PubChem (CID 1093415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).