(5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one

C20H28N2O4 — CID 134698034

IUPAC(5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC(C)(CO)CC2)OCC(=O)N1C
InChIInChI=1S/C20H28N2O4/c1-14-6-4-5-7-15(14)17-18(26-12-16(24)21(17)3)19(25)22-10-8-20(2,13-23)9-11-22/h4-7,17-18,23H,8-13H2,1-3H3/t17-,18+/m1/s1
InChIKeyLAVPJCSYDJFYIG-MSOLQXFVSA-N
MW360.45 g/mol
LogP1.51
Rot. Bonds3

About (5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one

(5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one (PubChem CID 134698034) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one
PubChem CID134698034
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC(C)(CO)CC2)OCC(=O)N1C
InChIInChI=1S/C20H28N2O4/c1-14-6-4-5-7-15(14)17-18(26-12-16(24)21(17)3)19(25)22-10-8-20(2,13-23)9-11-22/h4-7,17-18,23H,8-13H2,1-3H3/t17-,18+/m1/s1
InChIKeyLAVPJCSYDJFYIG-MSOLQXFVSA-N
XLogP1.51
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one with MolForge

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Related Compounds

4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide
CID 134703529
(5R,6S)-6-(azepane-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 134710331
(5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one
CID 134714584
acetic acid;(5R,6S)-6-(4-aminopiperidine-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 154913234
acetic acid;(5R,6S)-6-(1,4-diazepane-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 154914076
methyl (1S,5R)-3-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 162633244
(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 95738127
(5R,6R)-6-(4-benzylpiperazine-1-carbonyl)-5-(2-fluorophenyl)-4-methylmorpholin-3-one
CID 95739747
(2S,3R)-N,4-dimethyl-3-(2-methylphenyl)-N-[(2-methylphenyl)methyl]-5-oxomorpholine-2-carboxamide
CID 134701506
(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
CID 95738132
(2S,3R)-N-(1-cyclopentylcyclopropyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134713673
(2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134698510

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one?
The IUPAC name of (5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one (CID 134698034) is (5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one.
What is the SMILES notation for (5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one?
The canonical SMILES for (5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one is Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC(C)(CO)CC2)OCC(=O)N1C.
What is the InChIKey of (5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one?
The InChIKey is LAVPJCSYDJFYIG-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-14-6-4-5-7-15(14)17-18(26-12-16(24)21(17)3)19(25)22-10-8-20(2,13-23)9-11-22/h4-7,17-18,23H,8-13H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of (5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one?
(5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one has a molecular weight of 360.45 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]-4-methyl-5-(2-methylphenyl)morpholin-3-one is sourced from PubChem (CID 134698034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).