methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate

C17H24N2O3 — CID 11702224

IUPACmethyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)NCCCN2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-22-17(21)15-8-5-7-14(13-15)16(20)18-9-6-12-19-10-3-2-4-11-19/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,18,20)
InChIKeyZPHMGLQWZNGQAM-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.08
Rot. Bonds6

About methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate

methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate (PubChem CID 11702224) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate
PubChem CID11702224
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)NCCCN2CCCCC2)c1
InChIInChI=1S/C17H24N2O3/c1-22-17(21)15-8-5-7-14(13-15)16(20)18-9-6-12-19-10-3-2-4-11-19/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,18,20)
InChIKeyZPHMGLQWZNGQAM-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
methyl 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate
CID 55824435
methyl 3-(3-piperidin-1-ylpropylcarbamothioylamino)benzoate
CID 100620973
3-(methylsulfanylmethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176255
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide
CID 58945403
methyl 3-(6-hydroxyhexylcarbamoyl)benzoate
CID 108799701
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate?
The IUPAC name of methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate (CID 11702224) is methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate.
What is the SMILES notation for methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate?
The canonical SMILES for methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate is COC(=O)c1cccc(C(=O)NCCCN2CCCCC2)c1.
What is the InChIKey of methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate?
The InChIKey is ZPHMGLQWZNGQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-17(21)15-8-5-7-14(13-15)16(20)18-9-6-12-19-10-3-2-4-11-19/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,18,20).
What are the key properties of methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate?
methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate has a molecular weight of 304.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-piperidin-1-ylpropylcarbamoyl)benzoate is sourced from PubChem (CID 11702224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).