2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid

C9H16N2O3 — CID 122458449

IUPAC2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid
SMILESCN1CCC(CCNC(=O)O)CC1=O
InChIInChI=1S/C9H16N2O3/c1-11-5-3-7(6-8(11)12)2-4-10-9(13)14/h7,10H,2-6H2,1H3,(H,13,14)
InChIKeyKFZJWLNQZTWIJY-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.51
Rot. Bonds3

About 2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid

2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid (PubChem CID 122458449) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid
PubChem CID122458449
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid
SMILESCN1CCC(CCNC(=O)O)CC1=O
InChIInChI=1S/C9H16N2O3/c1-11-5-3-7(6-8(11)12)2-4-10-9(13)14/h7,10H,2-6H2,1H3,(H,13,14)
InChIKeyKFZJWLNQZTWIJY-UHFFFAOYSA-N
XLogP0.51
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid?
The IUPAC name of 2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid (CID 122458449) is 2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid?
The canonical SMILES for 2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid is CN1CCC(CCNC(=O)O)CC1=O.
What is the InChIKey of 2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid?
The InChIKey is KFZJWLNQZTWIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-11-5-3-7(6-8(11)12)2-4-10-9(13)14/h7,10H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid?
2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid has a molecular weight of 200.24 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxopiperidin-4-yl)ethylcarbamic acid is sourced from PubChem (CID 122458449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).