(5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one

C20H28N2O5 — CID 91919581

IUPAC(5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one
SMILESCOc1ccc(CN2C(=O)COC[C@H]2C(=O)N2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C20H28N2O5/c1-14-6-8-21(9-7-14)20(24)17-12-27-13-19(23)22(17)11-15-4-5-16(25-2)10-18(15)26-3/h4-5,10,14,17H,6-9,11-13H2,1-3H3/t17-/m0/s1
InChIKeyJOPAKEOQTBBJCG-KRWDZBQOSA-N
MW376.45 g/mol
LogP1.69
Rot. Bonds5

About (5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one

(5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one (PubChem CID 91919581) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is (5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name(5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one
PubChem CID91919581
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name(5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one
SMILESCOc1ccc(CN2C(=O)COC[C@H]2C(=O)N2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C20H28N2O5/c1-14-6-8-21(9-7-14)20(24)17-12-27-13-19(23)22(17)11-15-4-5-16(25-2)10-18(15)26-3/h4-5,10,14,17H,6-9,11-13H2,1-3H3/t17-/m0/s1
InChIKeyJOPAKEOQTBBJCG-KRWDZBQOSA-N
XLogP1.69
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one?
The IUPAC name of (5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one (CID 91919581) is (5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one.
What is the SMILES notation for (5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one?
The canonical SMILES for (5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one is COc1ccc(CN2C(=O)COC[C@H]2C(=O)N2CCC(C)CC2)c(OC)c1.
What is the InChIKey of (5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one?
The InChIKey is JOPAKEOQTBBJCG-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-14-6-8-21(9-7-14)20(24)17-12-27-13-19(23)22(17)11-15-4-5-16(25-2)10-18(15)26-3/h4-5,10,14,17H,6-9,11-13H2,1-3H3/t17-/m0/s1.
What are the key properties of (5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one?
(5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one has a molecular weight of 376.45 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-[(2,4-dimethoxyphenyl)methyl]-5-(4-methylpiperidine-1-carbonyl)morpholin-3-one is sourced from PubChem (CID 91919581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).