benzyl 4-carbamoylpiperidine-1-carboxylate

C14H18N2O3 — CID 2776131

IUPACbenzyl 4-carbamoylpiperidine-1-carboxylate
SMILESNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c15-13(17)12-6-8-16(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,17)
InChIKeyUNJWOPBEKPMSGH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.52
Rot. Bonds3

About benzyl 4-carbamoylpiperidine-1-carboxylate

benzyl 4-carbamoylpiperidine-1-carboxylate (PubChem CID 2776131) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is benzyl 4-carbamoylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-carbamoylpiperidine-1-carboxylate
PubChem CID2776131
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namebenzyl 4-carbamoylpiperidine-1-carboxylate
SMILESNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H18N2O3/c15-13(17)12-6-8-16(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,17)
InChIKeyUNJWOPBEKPMSGH-UHFFFAOYSA-N
XLogP1.52
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-carbamoylpiperidine-1-carboxylate?
The IUPAC name of benzyl 4-carbamoylpiperidine-1-carboxylate (CID 2776131) is benzyl 4-carbamoylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-carbamoylpiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-carbamoylpiperidine-1-carboxylate is NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-carbamoylpiperidine-1-carboxylate?
The InChIKey is UNJWOPBEKPMSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-13(17)12-6-8-16(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,17).
What are the key properties of benzyl 4-carbamoylpiperidine-1-carboxylate?
benzyl 4-carbamoylpiperidine-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-carbamoylpiperidine-1-carboxylate is sourced from PubChem (CID 2776131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).