(1-carbamoylpiperidin-4-yl) formate

C7H12N2O3 — CID 91302293

IUPAC(1-carbamoylpiperidin-4-yl) formate
SMILESNC(=O)N1CCC(OC=O)CC1
InChIInChI=1S/C7H12N2O3/c8-7(11)9-3-1-6(2-4-9)12-5-10/h5-6H,1-4H2,(H2,8,11)
InChIKeyRWOFBYCECAAERI-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.30
Rot. Bonds2

About (1-carbamoylpiperidin-4-yl) formate

(1-carbamoylpiperidin-4-yl) formate (PubChem CID 91302293) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (1-carbamoylpiperidin-4-yl) formate.

Molecular Properties

Compound Name(1-carbamoylpiperidin-4-yl) formate
PubChem CID91302293
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(1-carbamoylpiperidin-4-yl) formate
SMILESNC(=O)N1CCC(OC=O)CC1
InChIInChI=1S/C7H12N2O3/c8-7(11)9-3-1-6(2-4-9)12-5-10/h5-6H,1-4H2,(H2,8,11)
InChIKeyRWOFBYCECAAERI-UHFFFAOYSA-N
XLogP-0.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.30
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 (1-carbamoylpiperidin-4-yl) formate?
The IUPAC name of (1-carbamoylpiperidin-4-yl) formate (CID 91302293) is (1-carbamoylpiperidin-4-yl) formate.
What is the SMILES notation for (1-carbamoylpiperidin-4-yl) formate?
The canonical SMILES for (1-carbamoylpiperidin-4-yl) formate is NC(=O)N1CCC(OC=O)CC1.
What is the InChIKey of (1-carbamoylpiperidin-4-yl) formate?
The InChIKey is RWOFBYCECAAERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-7(11)9-3-1-6(2-4-9)12-5-10/h5-6H,1-4H2,(H2,8,11).
What are the key properties of (1-carbamoylpiperidin-4-yl) formate?
(1-carbamoylpiperidin-4-yl) formate has a molecular weight of 172.18 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylpiperidin-4-yl) formate is sourced from PubChem (CID 91302293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).