1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one

C16H27N3O — CID 155572329

IUPAC1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one
SMILESCCc1ccn(C2CCN(CCN(C)C)CC2)c(=O)c1
InChIInChI=1S/C16H27N3O/c1-4-14-5-10-19(16(20)13-14)15-6-8-18(9-7-15)12-11-17(2)3/h5,10,13,15H,4,6-9,11-12H2,1-3H3
InChIKeyGIVBJKNZNKSHPI-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.61
Rot. Bonds5

About 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one

1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one (PubChem CID 155572329) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one
PubChem CID155572329
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one
SMILESCCc1ccn(C2CCN(CCN(C)C)CC2)c(=O)c1
InChIInChI=1S/C16H27N3O/c1-4-14-5-10-19(16(20)13-14)15-6-8-18(9-7-15)12-11-17(2)3/h5,10,13,15H,4,6-9,11-12H2,1-3H3
InChIKeyGIVBJKNZNKSHPI-UHFFFAOYSA-N
XLogP1.61
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one (CID 155572329) is 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one is CCc1ccn(C2CCN(CCN(C)C)CC2)c(=O)c1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one?
The InChIKey is GIVBJKNZNKSHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-14-5-10-19(16(20)13-14)15-6-8-18(9-7-15)12-11-17(2)3/h5,10,13,15H,4,6-9,11-12H2,1-3H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one?
1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one has a molecular weight of 277.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-4-ethylpyridin-2-one is sourced from PubChem (CID 155572329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).