(5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one

C20H28N2O4 — CID 97269883

IUPAC(5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one
SMILESCOc1ccc(OCC2CCN(C(=O)CN3C(=O)CC[C@@H]3C)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-15-3-8-19(23)22(15)13-20(24)21-11-9-16(10-12-21)14-26-18-6-4-17(25-2)5-7-18/h4-7,15-16H,3,8-14H2,1-2H3/t15-/m0/s1
InChIKeyQRKRXYMLHWFMBE-HNNXBMFYSA-N
MW360.45 g/mol
LogP2.32
Rot. Bonds6

About (5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one

(5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one (PubChem CID 97269883) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one
PubChem CID97269883
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one
SMILESCOc1ccc(OCC2CCN(C(=O)CN3C(=O)CC[C@@H]3C)CC2)cc1
InChIInChI=1S/C20H28N2O4/c1-15-3-8-19(23)22(15)13-20(24)21-11-9-16(10-12-21)14-26-18-6-4-17(25-2)5-7-18/h4-7,15-16H,3,8-14H2,1-2H3/t15-/m0/s1
InChIKeyQRKRXYMLHWFMBE-HNNXBMFYSA-N
XLogP2.32
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one with MolForge

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Related Compounds

(5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one
CID 97269882
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 98132744
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 92596332
1-[2-(4-methoxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-5-methylpyrrolidin-2-one
CID 72861394
(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110411665
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 33365745
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 122556803
3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 25473522
2-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 42814433
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one?
The IUPAC name of (5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one (CID 97269883) is (5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for (5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one is COc1ccc(OCC2CCN(C(=O)CN3C(=O)CC[C@@H]3C)CC2)cc1.
What is the InChIKey of (5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one?
The InChIKey is QRKRXYMLHWFMBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15-3-8-19(23)22(15)13-20(24)21-11-9-16(10-12-21)14-26-18-6-4-17(25-2)5-7-18/h4-7,15-16H,3,8-14H2,1-2H3/t15-/m0/s1.
What are the key properties of (5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one?
(5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one has a molecular weight of 360.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 97269883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).