[1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid

C12H17N3O3 — CID 22052353

IUPAC[1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C12H17N3O3/c16-11-7-10(1-4-13-11)15-5-2-9(3-6-15)8-14-12(17)18/h1,4,7,9,14H,2-3,5-6,8H2,(H,13,16)(H,17,18)
InChIKeyUARFHUKKGXCXCO-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.86
Rot. Bonds3

About [1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid

[1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid (PubChem CID 22052353) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is [1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid
PubChem CID22052353
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name[1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid
SMILESO=C(O)NCC1CCN(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C12H17N3O3/c16-11-7-10(1-4-13-11)15-5-2-9(3-6-15)8-14-12(17)18/h1,4,7,9,14H,2-3,5-6,8H2,(H,13,16)(H,17,18)
InChIKeyUARFHUKKGXCXCO-UHFFFAOYSA-N
XLogP0.86
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid (CID 22052353) is [1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid is O=C(O)NCC1CCN(c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of [1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid?
The InChIKey is UARFHUKKGXCXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-11-7-10(1-4-13-11)15-5-2-9(3-6-15)8-14-12(17)18/h1,4,7,9,14H,2-3,5-6,8H2,(H,13,16)(H,17,18).
What are the key properties of [1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid?
[1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid has a molecular weight of 251.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-oxo-1H-pyridin-4-yl)piperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 22052353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).