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

C19H31N3O4 — CID 54312875

IUPAC1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCC(=O)N1CCC(N2CCCC(CC(=O)N3CCC(O)CC3)C2=O)CC1
InChIInChI=1S/C19H31N3O4/c1-14(23)20-9-4-16(5-10-20)22-8-2-3-15(19(22)26)13-18(25)21-11-6-17(24)7-12-21/h15-17,24H,2-13H2,1H3
InChIKeySMCYHCOYOXWCHV-UHFFFAOYSA-N
MW365.47 g/mol
LogP0.61
Rot. Bonds3

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

1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 54312875) has the molecular formula C19H31N3O4 and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
PubChem CID54312875
Molecular FormulaC19H31N3O4
Molecular Weight365.47 g/mol
Exact Mass365.23
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCC(=O)N1CCC(N2CCCC(CC(=O)N3CCC(O)CC3)C2=O)CC1
InChIInChI=1S/C19H31N3O4/c1-14(23)20-9-4-16(5-10-20)22-8-2-3-15(19(22)26)13-18(25)21-11-6-17(24)7-12-21/h15-17,24H,2-13H2,1H3
InChIKeySMCYHCOYOXWCHV-UHFFFAOYSA-N
XLogP0.61
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]-1-piperidin-4-ylpiperidin-2-one
CID 54394444
1-(1-Acetylpiperidin-4-yl)-3-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54409015
2-[1-[1-(Dimethylamino)pentan-3-yl]-2-oxopiperidin-3-yl]acetaldehyde;1-methylpiperidin-4-ol
CID 141952771
N-(3-hydroxypentyl)-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 142184370
N-[(3R)-3-hydroxypentyl]-2-[1-(1-methylpiperidin-4-yl)-2-oxopiperidin-3-yl]acetamide
CID 163790814
1-(1-Ethylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
CID 54511977
1-[1-[2-Hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperidin-4-yl]piperidin-2-one
CID 112308490
5-[(4-Hydroxy-1,4'-bipiperidin-1'-yl)methyl]-1-isopropyl-2-piperidinone
CID 138378076

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one (CID 54312875) is 1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one is CC(=O)N1CCC(N2CCCC(CC(=O)N3CCC(O)CC3)C2=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is SMCYHCOYOXWCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4/c1-14(23)20-9-4-16(5-10-20)22-8-2-3-15(19(22)26)13-18(25)21-11-6-17(24)7-12-21/h15-17,24H,2-13H2,1H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 365.47 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 54312875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).