benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

C16H22N2O4 — CID 22574154

IUPACbenzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCON(C)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O4/c1-17(21-2)15(19)14-8-10-18(11-9-14)16(20)22-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyXVSOLNIURSFPEU-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.06
Rot. Bonds4

About benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 22574154) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
PubChem CID22574154
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namebenzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
SMILESCON(C)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O4/c1-17(21-2)15(19)14-8-10-18(11-9-14)16(20)22-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyXVSOLNIURSFPEU-UHFFFAOYSA-N
XLogP2.06
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate (CID 22574154) is benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate is CON(C)C(=O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is XVSOLNIURSFPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-17(21-2)15(19)14-8-10-18(11-9-14)16(20)22-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3.
What are the key properties of benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate?
benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 22574154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).