Methyl 4-(piperidine-4-carbonylamino)benzoate

C14H18N2O3 — CID 61258374

IUPACmethyl 4-(piperidine-4-carbonylamino)benzoate
SMILESCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCNCC2
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
MW262.30 g/mol
LogP1.80
Rot. Bonds4

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 262.30 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 Weight262.30 g/mol
Exact Mass262.13
IUPAC Namemethyl 4-(piperidine-4-carbonylamino)benzoate
SMILESCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCNCC2
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
XLogP1.80
TPSA67.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity319

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)C1=CC=C(C=C1)NC(=O)C2CCNCC2.
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 262.30 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 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).