methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

C14H18N2O3 — CID 894806

IUPACmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-19-13(17)11-7-9-16(10-8-11)14(18)15-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,18)
InChIKeySGAFFKZVZUWWRQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.10
Rot. Bonds2

About methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate

methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 894806) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID894806
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c1-19-13(17)11-7-9-16(10-8-11)14(18)15-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,18)
InChIKeySGAFFKZVZUWWRQ-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Norcarfentanil
CID 2724431
1-Phenyl-3-(1-propionylpiperidin-4-yl)urea
CID 47379737
Ethyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 2973554
Ethyl 1-[3-oxo-3-(4-toluidino)propyl]-4-piperidinecarboxylate
CID 772564
N1-phenylpiperidine-1,4-dicarboxamide
CID 769265
Ethyl 1-[(4-methylphenyl)carbamothioyl]piperidine-4-carboxylate
CID 859070
N-[4-(piperidylcarbonylamino)phenyl]acetamide
CID 646871
Ethyl 1-(3-((4-fluorophenyl)amino)-3-oxopropyl)piperidine-4-carboxylate
CID 740130
4-[(Anilinocarbonyl)amino]butanoic acid
CID 3527272
Ethyl 4-(phenylcarbamoyl)piperazine-1-carboxylate
CID 781025
Piperidine-1,4-dicarboxylic acid 4-[(2-cyclohex-1-enyl-ethyl)-amide] 1-p-tolylamide
CID 650464
Ethyl 1-((2-chlorophenyl)carbamoyl)piperidine-4-carboxylate
CID 713037

Frequently Asked Questions

What is the IUPAC name of methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 894806) is methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is SGAFFKZVZUWWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-13(17)11-7-9-16(10-8-11)14(18)15-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,18).
What are the key properties of methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate?
methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 894806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).