1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one

C19H33N3O3 — CID 54511977

IUPAC1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCCN1CCC(N2CCCC(CC(=O)N3CCC(O)CC3)C2=O)CC1
InChIInChI=1S/C19H33N3O3/c1-2-20-10-5-16(6-11-20)22-9-3-4-15(19(22)25)14-18(24)21-12-7-17(23)8-13-21/h15-17,23H,2-14H2,1H3
InChIKeyLKOUPWZYUOTPLA-UHFFFAOYSA-N
MW351.49 g/mol
LogP1.08
Rot. Bonds4

About 1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one

1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 54511977) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
PubChem CID54511977
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCCN1CCC(N2CCCC(CC(=O)N3CCC(O)CC3)C2=O)CC1
InChIInChI=1S/C19H33N3O3/c1-2-20-10-5-16(6-11-20)22-9-3-4-15(19(22)25)14-18(24)21-12-7-17(23)8-13-21/h15-17,23H,2-14H2,1H3
InChIKeyLKOUPWZYUOTPLA-UHFFFAOYSA-N
XLogP1.08
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-[[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methyl]-1-propan-2-ylpiperidin-2-one
CID 171359734
3-[2-(3-Hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 20590487
3-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 20590488
3-[2-(4-Methoxypiperidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 20590489
1-(1-Acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54312875
3-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one
CID 54394444
2-[1-[1-(Dimethylamino)pentan-3-yl]-2-oxopiperidin-3-yl]acetaldehyde;1-methylpiperidin-4-ol
CID 141952771
Ethane;3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 141952786
N-(3-hydroxypentyl)-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 142184370
Cyclopentyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 155721081
N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 163790814
(4-Hydroxypiperidin-1-yl)-[3-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanone
CID 177010647

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one (CID 54511977) is 1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one is CCN1CCC(N2CCCC(CC(=O)N3CCC(O)CC3)C2=O)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is LKOUPWZYUOTPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-2-20-10-5-16(6-11-20)22-9-3-4-15(19(22)25)14-18(24)21-12-7-17(23)8-13-21/h15-17,23H,2-14H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 351.49 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 54511977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).