ethyl 3-(piperidine-3-carbonylamino)benzoate

C15H20N2O3 — CID 61260625

IUPACethyl 3-(piperidine-3-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CCCNC2)c1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)11-5-3-7-13(9-11)17-14(18)12-6-4-8-16-10-12/h3,5,7,9,12,16H,2,4,6,8,10H2,1H3,(H,17,18)
InChIKeyZUVFZCRZWYRMAT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.80
Rot. Bonds4

About ethyl 3-(piperidine-3-carbonylamino)benzoate

ethyl 3-(piperidine-3-carbonylamino)benzoate (PubChem CID 61260625) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 3-(piperidine-3-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(piperidine-3-carbonylamino)benzoate
PubChem CID61260625
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 3-(piperidine-3-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)C2CCCNC2)c1
InChIInChI=1S/C15H20N2O3/c1-2-20-15(19)11-5-3-7-13(9-11)17-14(18)12-6-4-8-16-10-12/h3,5,7,9,12,16H,2,4,6,8,10H2,1H3,(H,17,18)
InChIKeyZUVFZCRZWYRMAT-UHFFFAOYSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119283131
N-(3-benzoylphenyl)piperidine-3-carboxamide
CID 119279700
(3S)-N-[3-(methoxymethyl)phenyl]piperidine-3-carboxamide
CID 81123662
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 2169884
(3R)-N-[3-[(dimethylamino)methyl]phenyl]piperidine-3-carboxamide
CID 81123295
ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110462157
N-(3-iodophenyl)piperidine-3-carboxamide;hydrochloride
CID 119263523
ethyl 3-[[1-[(4-fluorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 46774412
N-[3-(methylsulfinylmethyl)phenyl]piperidine-3-carboxamide
CID 119327480
N-[3-(dimethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55148926
N-[3-(propan-2-yloxymethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119306298
ethyl 3-acetamidobenzoate
CID 700589

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(piperidine-3-carbonylamino)benzoate?
The IUPAC name of ethyl 3-(piperidine-3-carbonylamino)benzoate (CID 61260625) is ethyl 3-(piperidine-3-carbonylamino)benzoate.
What is the SMILES notation for ethyl 3-(piperidine-3-carbonylamino)benzoate?
The canonical SMILES for ethyl 3-(piperidine-3-carbonylamino)benzoate is CCOC(=O)c1cccc(NC(=O)C2CCCNC2)c1.
What is the InChIKey of ethyl 3-(piperidine-3-carbonylamino)benzoate?
The InChIKey is ZUVFZCRZWYRMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-15(19)11-5-3-7-13(9-11)17-14(18)12-6-4-8-16-10-12/h3,5,7,9,12,16H,2,4,6,8,10H2,1H3,(H,17,18).
What are the key properties of ethyl 3-(piperidine-3-carbonylamino)benzoate?
ethyl 3-(piperidine-3-carbonylamino)benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(piperidine-3-carbonylamino)benzoate is sourced from PubChem (CID 61260625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).