4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one

C12H16N2O3 — CID 43417275

IUPAC4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCC(O)CC2)cc1=O
InChIInChI=1S/C12H16N2O3/c1-13-5-2-9(8-11(13)16)12(17)14-6-3-10(15)4-7-14/h2,5,8,10,15H,3-4,6-7H2,1H3
InChIKeyDNTPJJMABBQZDC-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.02
Rot. Bonds1

About 4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one

4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one (PubChem CID 43417275) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one
PubChem CID43417275
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCC(O)CC2)cc1=O
InChIInChI=1S/C12H16N2O3/c1-13-5-2-9(8-11(13)16)12(17)14-6-3-10(15)4-7-14/h2,5,8,10,15H,3-4,6-7H2,1H3
InChIKeyDNTPJJMABBQZDC-UHFFFAOYSA-N
XLogP-0.02
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one (CID 43417275) is 4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCC(O)CC2)cc1=O.
What is the InChIKey of 4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one?
The InChIKey is DNTPJJMABBQZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13-5-2-9(8-11(13)16)12(17)14-6-3-10(15)4-7-14/h2,5,8,10,15H,3-4,6-7H2,1H3.
What are the key properties of 4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one?
4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidine-1-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 43417275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).