methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate

C14H18N2O3 — CID 747969

IUPACmethyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C14H18N2O3/c1-19-14(18)15-12-8-4-3-7-11(12)13(17)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,18)
InChIKeyVKGUTUTZJZBUFW-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.49
Rot. Bonds2

About methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate

methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate (PubChem CID 747969) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate
PubChem CID747969
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C14H18N2O3/c1-19-14(18)15-12-8-4-3-7-11(12)13(17)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,18)
InChIKeyVKGUTUTZJZBUFW-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate?
The IUPAC name of methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate (CID 747969) is methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate?
The canonical SMILES for methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate is COC(=O)Nc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate?
The InChIKey is VKGUTUTZJZBUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-14(18)15-12-8-4-3-7-11(12)13(17)16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,18).
What are the key properties of methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate?
methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate has a molecular weight of 262.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(piperidine-1-carbonyl)phenyl]carbamate is sourced from PubChem (CID 747969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).