methyl 4-(piperidine-4-carbonylamino)benzoate

C14H18N2O3 — CID 61258374

IUPACmethyl 4-(piperidine-4-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCNCC2)cc1
InChIInChI=1S/C14H18N2O3/c1-19-14(18)11-2-4-12(5-3-11)16-13(17)10-6-8-15-9-7-10/h2-5,10,15H,6-9H2,1H3,(H,16,17)
InChIKeyBOTRROGRAGWIPJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.41
Rot. Bonds3

About methyl 4-(piperidine-4-carbonylamino)benzoate

methyl 4-(piperidine-4-carbonylamino)benzoate (PubChem CID 61258374) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 4-(piperidine-4-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(piperidine-4-carbonylamino)benzoate
PubChem CID61258374
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 4-(piperidine-4-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCNCC2)cc1
InChIInChI=1S/C14H18N2O3/c1-19-14(18)11-2-4-12(5-3-11)16-13(17)10-6-8-15-9-7-10/h2-5,10,15H,6-9H2,1H3,(H,16,17)
InChIKeyBOTRROGRAGWIPJ-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
methyl 2-fluoro-5-(piperidine-4-carbonylamino)benzoate
CID 43707540
methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamoyl]benzoate
CID 17178384
methyl 4-[(3R)-pyrrolidine-3-carbonyl]benzoate
CID 99934590
methyl 4-[[4-[(3-fluorophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151109
methyl 4-[[4-(azepane-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109150256
methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109146046
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate
CID 119277519
N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119317934
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961

Frequently Asked Questions

What is the IUPAC name of methyl 4-(piperidine-4-carbonylamino)benzoate?
The IUPAC name of methyl 4-(piperidine-4-carbonylamino)benzoate (CID 61258374) is methyl 4-(piperidine-4-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(piperidine-4-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(piperidine-4-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)C2CCNCC2)cc1.
What is the InChIKey of methyl 4-(piperidine-4-carbonylamino)benzoate?
The InChIKey is BOTRROGRAGWIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-14(18)11-2-4-12(5-3-11)16-13(17)10-6-8-15-9-7-10/h2-5,10,15H,6-9H2,1H3,(H,16,17).
What are the key properties of methyl 4-(piperidine-4-carbonylamino)benzoate?
methyl 4-(piperidine-4-carbonylamino)benzoate has a molecular weight of 262.31 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(piperidine-4-carbonylamino)benzoate is sourced from PubChem (CID 61258374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).