4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid

C18H24N2O4 — CID 121405119

IUPAC4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC2CCN(C(=O)C3(O)CCCC3)CC2)cc1
InChIInChI=1S/C18H24N2O4/c21-16(22)13-3-5-14(6-4-13)19-15-7-11-20(12-8-15)17(23)18(24)9-1-2-10-18/h3-6,15,19,24H,1-2,7-12H2,(H,21,22)
InChIKeyZFFIPNZIGMALNI-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.09
Rot. Bonds4

About 4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid

4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid (PubChem CID 121405119) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid
PubChem CID121405119
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC2CCN(C(=O)C3(O)CCCC3)CC2)cc1
InChIInChI=1S/C18H24N2O4/c21-16(22)13-3-5-14(6-4-13)19-15-7-11-20(12-8-15)17(23)18(24)9-1-2-10-18/h3-6,15,19,24H,1-2,7-12H2,(H,21,22)
InChIKeyZFFIPNZIGMALNI-UHFFFAOYSA-N
XLogP2.09
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid?
The IUPAC name of 4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid (CID 121405119) is 4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid?
The canonical SMILES for 4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid is O=C(O)c1ccc(NC2CCN(C(=O)C3(O)CCCC3)CC2)cc1.
What is the InChIKey of 4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid?
The InChIKey is ZFFIPNZIGMALNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-16(22)13-3-5-14(6-4-13)19-15-7-11-20(12-8-15)17(23)18(24)9-1-2-10-18/h3-6,15,19,24H,1-2,7-12H2,(H,21,22).
What are the key properties of 4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid?
4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid has a molecular weight of 332.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-hydroxycyclopentanecarbonyl)piperidin-4-yl]amino]benzoic acid is sourced from PubChem (CID 121405119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).