1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one

C16H27N3O — CID 82897001

IUPAC1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
SMILESCCNC(C)C1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C16H27N3O/c1-3-17-14(2)15-7-10-18(11-8-15)12-13-19-9-5-4-6-16(19)20/h4-6,9,14-15,17H,3,7-8,10-13H2,1-2H3
InChIKeyOFRQUKMMRQICMJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.56
Rot. Bonds6

About 1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one

1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 82897001) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID82897001
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
SMILESCCNC(C)C1CCN(CCn2ccccc2=O)CC1
InChIInChI=1S/C16H27N3O/c1-3-17-14(2)15-7-10-18(11-8-15)12-13-19-9-5-4-6-16(19)20/h4-6,9,14-15,17H,3,7-8,10-13H2,1-2H3
InChIKeyOFRQUKMMRQICMJ-UHFFFAOYSA-N
XLogP1.56
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898404
1-[2-(1-cyclopentylethylamino)ethyl]pyridin-2-one
CID 81334184
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
1-[2-[3-[1-(methylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82896584
1-(1-benzylpiperidin-4-yl)-N-ethylethanamine
CID 63854656
1-[2-[3-(1-aminoethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82898009
1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899373
1-[2-(4-amino-3-ethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 82907183
1-[2-[3-ethyl-4-(ethylamino)piperidin-1-yl]ethyl]pyridin-2-one
CID 114507542
1-[4-(butan-2-ylamino)butyl]pyridin-2-one
CID 115714513
1-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82907056
2-[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]butanenitrile
CID 82897600

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one (CID 82897001) is 1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one is CCNC(C)C1CCN(CCn2ccccc2=O)CC1.
What is the InChIKey of 1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is OFRQUKMMRQICMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-17-14(2)15-7-10-18(11-8-15)12-13-19-9-5-4-6-16(19)20/h4-6,9,14-15,17H,3,7-8,10-13H2,1-2H3.
What are the key properties of 1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one?
1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 277.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82897001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).