ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride

C17H24ClN2O3- — CID 53428809

IUPACethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride
SMILESCCOC(=O)c1ccc(NC(=O)C(C)N2CCCCC2)cc1.[Cl-]
InChIInChI=1S/C17H24N2O3.ClH/c1-3-22-17(21)14-7-9-15(10-8-14)18-16(20)13(2)19-11-5-4-6-12-19;/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,20);1H/p-1
InChIKeyQUQNWMVOJVQOIA-UHFFFAOYSA-M
MW339.84 g/mol
LogP-0.32
Rot. Bonds5

About ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride

ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride (PubChem CID 53428809) has the molecular formula C17H24ClN2O3- and a molecular weight of 339.84 g/mol. Its IUPAC name is ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride.

Molecular Properties

Compound Nameethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride
PubChem CID53428809
Molecular FormulaC17H24ClN2O3-
Molecular Weight339.84 g/mol
Exact Mass339.15
IUPAC Nameethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride
SMILESCCOC(=O)c1ccc(NC(=O)C(C)N2CCCCC2)cc1.[Cl-]
InChIInChI=1S/C17H24N2O3.ClH/c1-3-22-17(21)14-7-9-15(10-8-14)18-16(20)13(2)19-11-5-4-6-12-19;/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,20);1H/p-1
InChIKeyQUQNWMVOJVQOIA-UHFFFAOYSA-M
XLogP-0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-chloropropanoylamino)benzoate
CID 42599434
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
ethyl 4-[4-(2-methylpropanoylamino)anilino]benzoate
CID 112989351
ethyl 4-[[(2R)-2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]propanoyl]amino]benzoate
CID 99725095
ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
CID 23276159
ethyl 4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoate
CID 5236390
4-[2-(4-ethyl-1,4-diazepan-1-yl)propanoylamino]benzamide
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ethyl 4-(2-aminobutanoylamino)benzoate
CID 61252115
ethyl 4-[[(2S)-2-[(1S,2R,6S,7S,8R,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]propanoyl]amino]benzoate
CID 124715115
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
ethyl 4-[1-(4-tert-butylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 55351259

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride?
The IUPAC name of ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride (CID 53428809) is ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride.
What is the SMILES notation for ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride?
The canonical SMILES for ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride is CCOC(=O)c1ccc(NC(=O)C(C)N2CCCCC2)cc1.[Cl-].
What is the InChIKey of ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride?
The InChIKey is QUQNWMVOJVQOIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-3-22-17(21)14-7-9-15(10-8-14)18-16(20)13(2)19-11-5-4-6-12-19;/h7-10,13H,3-6,11-12H2,1-2H3,(H,18,20);1H/p-1.
What are the key properties of ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride?
ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride has a molecular weight of 339.84 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride is sourced from PubChem (CID 53428809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).