(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one

C20H31N3O4 — CID 95217840

IUPAC(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one
SMILESCOc1cccc(CN2CCC[C@@](O)(CNCCN3CCOCC3)C2=O)c1
InChIInChI=1S/C20H31N3O4/c1-26-18-5-2-4-17(14-18)15-23-8-3-6-20(25,19(23)24)16-21-7-9-22-10-12-27-13-11-22/h2,4-5,14,21,25H,3,6-13,15-16H2,1H3/t20-/m1/s1
InChIKeyLAVXKPDIBDOUJO-HXUWFJFHSA-N
MW377.49 g/mol
LogP0.47
Rot. Bonds8

About (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one

(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one (PubChem CID 95217840) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one
PubChem CID95217840
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one
SMILESCOc1cccc(CN2CCC[C@@](O)(CNCCN3CCOCC3)C2=O)c1
InChIInChI=1S/C20H31N3O4/c1-26-18-5-2-4-17(14-18)15-23-8-3-6-20(25,19(23)24)16-21-7-9-22-10-12-27-13-11-22/h2,4-5,14,21,25H,3,6-13,15-16H2,1H3/t20-/m1/s1
InChIKeyLAVXKPDIBDOUJO-HXUWFJFHSA-N
XLogP0.47
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]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

(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[2-(3-methylpyrazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 95219563
3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[2-(triazol-1-yl)ethylamino]methyl]piperidin-2-one
CID 56719287
2-[[(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-2-oxopiperidin-3-yl]methylamino]acetamide
CID 95231017
3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]piperidin-2-one
CID 56712551
(3S)-3-[[(2,5-dimethylphenyl)methylamino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 95213454
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(2-piperidin-1-ylethylamino)methyl]piperidin-2-one
CID 56708991
(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[[(1-phenylcyclopropyl)amino]methyl]piperidin-2-one
CID 42457858
(3R)-3-[[ethyl(methyl)amino]methyl]-3-hydroxy-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 42288084
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(2-phenylethylamino)methyl]piperidin-2-one
CID 95553831
(3S)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(pyrazolo[1,5-a]pyridin-3-ylmethylamino)methyl]piperidin-2-one
CID 95199668
3-hydroxy-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylethylamino)methyl]piperidin-2-one
CID 56711538
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(2-pyridin-3-ylethylamino)methyl]piperidin-2-one
CID 95220202

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one?
The IUPAC name of (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one (CID 95217840) is (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one is COc1cccc(CN2CCC[C@@](O)(CNCCN3CCOCC3)C2=O)c1.
What is the InChIKey of (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one?
The InChIKey is LAVXKPDIBDOUJO-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-26-18-5-2-4-17(14-18)15-23-8-3-6-20(25,19(23)24)16-21-7-9-22-10-12-27-13-11-22/h2,4-5,14,21,25H,3,6-13,15-16H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one?
(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 0.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-[(2-morpholin-4-ylethylamino)methyl]piperidin-2-one is sourced from PubChem (CID 95217840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).