(2-oxopiperidin-4-yl) carbamate

C6H10N2O3 — CID 155270724

IUPAC(2-oxopiperidin-4-yl) carbamate
SMILESNC(=O)OC1CCNC(=O)C1
InChIInChI=1S/C6H10N2O3/c7-6(10)11-4-1-2-8-5(9)3-4/h4H,1-3H2,(H2,7,10)(H,8,9)
InChIKeyBADZIUMPINZHFY-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.64
Rot. Bonds1

About (2-oxopiperidin-4-yl) carbamate

(2-oxopiperidin-4-yl) carbamate (PubChem CID 155270724) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (2-oxopiperidin-4-yl) carbamate.

Molecular Properties

Compound Name(2-oxopiperidin-4-yl) carbamate
PubChem CID155270724
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(2-oxopiperidin-4-yl) carbamate
SMILESNC(=O)OC1CCNC(=O)C1
InChIInChI=1S/C6H10N2O3/c7-6(10)11-4-1-2-8-5(9)3-4/h4H,1-3H2,(H2,7,10)(H,8,9)
InChIKeyBADZIUMPINZHFY-UHFFFAOYSA-N
XLogP-0.64
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxopiperidin-4-yl) carbamate?
The IUPAC name of (2-oxopiperidin-4-yl) carbamate (CID 155270724) is (2-oxopiperidin-4-yl) carbamate.
What is the SMILES notation for (2-oxopiperidin-4-yl) carbamate?
The canonical SMILES for (2-oxopiperidin-4-yl) carbamate is NC(=O)OC1CCNC(=O)C1.
What is the InChIKey of (2-oxopiperidin-4-yl) carbamate?
The InChIKey is BADZIUMPINZHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c7-6(10)11-4-1-2-8-5(9)3-4/h4H,1-3H2,(H2,7,10)(H,8,9).
What are the key properties of (2-oxopiperidin-4-yl) carbamate?
(2-oxopiperidin-4-yl) carbamate has a molecular weight of 158.16 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopiperidin-4-yl) carbamate is sourced from PubChem (CID 155270724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).