4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid

C18H24N2O4 — CID 119168696

IUPAC4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid
SMILESCCC(=O)N1CCCCC1C(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H24N2O4/c1-2-16(21)20-12-4-3-5-15(20)17(22)19-11-10-13-6-8-14(9-7-13)18(23)24/h6-9,15H,2-5,10-12H2,1H3,(H,19,22)(H,23,24)
InChIKeyBFQDEWUYJVBGEX-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.83
Rot. Bonds6

About 4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid

4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid (PubChem CID 119168696) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid
PubChem CID119168696
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid
SMILESCCC(=O)N1CCCCC1C(=O)NCCc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H24N2O4/c1-2-16(21)20-12-4-3-5-15(20)17(22)19-11-10-13-6-8-14(9-7-13)18(23)24/h6-9,15H,2-5,10-12H2,1H3,(H,19,22)(H,23,24)
InChIKeyBFQDEWUYJVBGEX-UHFFFAOYSA-N
XLogP1.83
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 119252262
4-[2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]ethyl]benzoic acid
CID 119168864
4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
CID 71874985
(2S)-N-(3-phenylprop-2-ynyl)-1-propanoylpiperidine-2-carboxamide
CID 94819073
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-1-propanoylpiperidine-2-carboxamide
CID 55835703
1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 166197517
N-(3-hydroxy-4-methylpentyl)-1-propanoylpiperidine-2-carboxamide
CID 111461149
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide
CID 55966394
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide
CID 47891608
N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110288042

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid (CID 119168696) is 4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid is CCC(=O)N1CCCCC1C(=O)NCCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is BFQDEWUYJVBGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-16(21)20-12-4-3-5-15(20)17(22)19-11-10-13-6-8-14(9-7-13)18(23)24/h6-9,15H,2-5,10-12H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid?
4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 332.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 119168696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).