4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid

C17H24N2O3 — CID 68965664

IUPAC4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid
SMILESCC(=O)N(CCCN1CCCCC1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C17H24N2O3/c1-14(20)19(13-5-12-18-10-3-2-4-11-18)16-8-6-15(7-9-16)17(21)22/h6-9H,2-5,10-13H2,1H3,(H,21,22)
InChIKeyKMOHDMVHQUKABT-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.61
Rot. Bonds6

About 4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid

4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid (PubChem CID 68965664) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid
PubChem CID68965664
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid
SMILESCC(=O)N(CCCN1CCCCC1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C17H24N2O3/c1-14(20)19(13-5-12-18-10-3-2-4-11-18)16-8-6-15(7-9-16)17(21)22/h6-9H,2-5,10-13H2,1H3,(H,21,22)
InChIKeyKMOHDMVHQUKABT-UHFFFAOYSA-N
XLogP2.61
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid?
The IUPAC name of 4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid (CID 68965664) is 4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid.
What is the SMILES notation for 4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid?
The canonical SMILES for 4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid is CC(=O)N(CCCN1CCCCC1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid?
The InChIKey is KMOHDMVHQUKABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-14(20)19(13-5-12-18-10-3-2-4-11-18)16-8-6-15(7-9-16)17(21)22/h6-9H,2-5,10-13H2,1H3,(H,21,22).
What are the key properties of 4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid?
4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid has a molecular weight of 304.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(3-piperidin-1-ylpropyl)amino]benzoic acid is sourced from PubChem (CID 68965664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).