4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one

C20H24N2O — CID 138385658

IUPAC4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(C2CCN(C3CCc4ccccc4C3)CC2)cc[nH]1
InChIInChI=1S/C20H24N2O/c23-20-14-18(7-10-21-20)16-8-11-22(12-9-16)19-6-5-15-3-1-2-4-17(15)13-19/h1-4,7,10,14,16,19H,5-6,8-9,11-13H2,(H,21,23)
InChIKeyZXROVOMOXMKEBF-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.11
Rot. Bonds2

About 4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one

4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138385658) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138385658
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(C2CCN(C3CCc4ccccc4C3)CC2)cc[nH]1
InChIInChI=1S/C20H24N2O/c23-20-14-18(7-10-21-20)16-8-11-22(12-9-16)19-6-5-15-3-1-2-4-17(15)13-19/h1-4,7,10,14,16,19H,5-6,8-9,11-13H2,(H,21,23)
InChIKeyZXROVOMOXMKEBF-UHFFFAOYSA-N
XLogP3.11
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one (CID 138385658) is 4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one is O=c1cc(C2CCN(C3CCc4ccccc4C3)CC2)cc[nH]1.
What is the InChIKey of 4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is ZXROVOMOXMKEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c23-20-14-18(7-10-21-20)16-8-11-22(12-9-16)19-6-5-15-3-1-2-4-17(15)13-19/h1-4,7,10,14,16,19H,5-6,8-9,11-13H2,(H,21,23).
What are the key properties of 4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one?
4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 308.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138385658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).