methyl N-(1-formylpiperidin-3-yl)carbamate

C8H14N2O3 — CID 145026551

IUPACmethyl N-(1-formylpiperidin-3-yl)carbamate
SMILESCOC(=O)NC1CCCN(C=O)C1
InChIInChI=1S/C8H14N2O3/c1-13-8(12)9-7-3-2-4-10(5-7)6-11/h6-7H,2-5H2,1H3,(H,9,12)
InChIKeyMFFNIWLSWGDLJY-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.04
Rot. Bonds2

About methyl N-(1-formylpiperidin-3-yl)carbamate

methyl N-(1-formylpiperidin-3-yl)carbamate (PubChem CID 145026551) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl N-(1-formylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-formylpiperidin-3-yl)carbamate
PubChem CID145026551
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl N-(1-formylpiperidin-3-yl)carbamate
SMILESCOC(=O)NC1CCCN(C=O)C1
InChIInChI=1S/C8H14N2O3/c1-13-8(12)9-7-3-2-4-10(5-7)6-11/h6-7H,2-5H2,1H3,(H,9,12)
InChIKeyMFFNIWLSWGDLJY-UHFFFAOYSA-N
XLogP-0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-formylpiperidin-3-yl)carbamate?
The IUPAC name of methyl N-(1-formylpiperidin-3-yl)carbamate (CID 145026551) is methyl N-(1-formylpiperidin-3-yl)carbamate.
What is the SMILES notation for methyl N-(1-formylpiperidin-3-yl)carbamate?
The canonical SMILES for methyl N-(1-formylpiperidin-3-yl)carbamate is COC(=O)NC1CCCN(C=O)C1.
What is the InChIKey of methyl N-(1-formylpiperidin-3-yl)carbamate?
The InChIKey is MFFNIWLSWGDLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-13-8(12)9-7-3-2-4-10(5-7)6-11/h6-7H,2-5H2,1H3,(H,9,12).
What are the key properties of methyl N-(1-formylpiperidin-3-yl)carbamate?
methyl N-(1-formylpiperidin-3-yl)carbamate has a molecular weight of 186.21 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-formylpiperidin-3-yl)carbamate is sourced from PubChem (CID 145026551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).