methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate

C16H22N2O3 — CID 119277519

IUPACmethyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)C2CCNCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-16(20)14-4-2-12(3-5-14)6-11-18-15(19)13-7-9-17-10-8-13/h2-5,13,17H,6-11H2,1H3,(H,18,19)
InChIKeyGPEOHXRNSZIWIO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.13
Rot. Bonds5

About methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate

methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate (PubChem CID 119277519) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate
PubChem CID119277519
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)C2CCNCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-21-16(20)14-4-2-12(3-5-14)6-11-18-15(19)13-7-9-17-10-8-13/h2-5,13,17H,6-11H2,1H3,(H,18,19)
InChIKeyGPEOHXRNSZIWIO-UHFFFAOYSA-N
XLogP1.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid
CID 61161224
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide
CID 82135396
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
N-[2-(4-acetamidophenyl)ethyl]piperidine-4-carboxamide
CID 119307270
N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
CID 10968855
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
methyl 4-[2-[(3-aminocyclohexanecarbonyl)amino]ethyl]benzoate;hydrochloride
CID 119701390
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
methyl 4-[2-[[(2S)-7-oxoazepane-2-carbonyl]amino]ethyl]benzoate
CID 124626533
methyl 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 120984703

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate?
The IUPAC name of methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate (CID 119277519) is methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate?
The canonical SMILES for methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate is COC(=O)c1ccc(CCNC(=O)C2CCNCC2)cc1.
What is the InChIKey of methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate?
The InChIKey is GPEOHXRNSZIWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-16(20)14-4-2-12(3-5-14)6-11-18-15(19)13-7-9-17-10-8-13/h2-5,13,17H,6-11H2,1H3,(H,18,19).
What are the key properties of methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate?
methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate has a molecular weight of 290.36 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate is sourced from PubChem (CID 119277519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).