4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide

C20H27N3O4 — CID 134703529

IUPAC4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC(C)(C(N)=O)CC2)OCC(=O)N1C
InChIInChI=1S/C20H27N3O4/c1-13-6-4-5-7-14(13)16-17(27-12-15(24)22(16)3)18(25)23-10-8-20(2,9-11-23)19(21)26/h4-7,16-17H,8-12H2,1-3H3,(H2,21,26)/t16-,17+/m1/s1
InChIKeyPPAWWTHVWOQZGA-SJORKVTESA-N
MW373.45 g/mol
LogP1.01
Rot. Bonds3

About 4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide

4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 134703529) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide
PubChem CID134703529
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC(C)(C(N)=O)CC2)OCC(=O)N1C
InChIInChI=1S/C20H27N3O4/c1-13-6-4-5-7-14(13)16-17(27-12-15(24)22(16)3)18(25)23-10-8-20(2,9-11-23)19(21)26/h4-7,16-17H,8-12H2,1-3H3,(H2,21,26)/t16-,17+/m1/s1
InChIKeyPPAWWTHVWOQZGA-SJORKVTESA-N
XLogP1.01
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dibenzyl-morpholin-3-one
CID 10468932
4-Cyclopropyl-N-[(4-fluorophenyl)methyl]-3-phenylmorpholine-2-carboxamide
CID 124075433
2-(4-Benzylpiperidine-1-carbonyl)-4-cyclopropyl-3-phenylmorpholine
CID 124075432
4-Cyclopropyl-N-[(2-methylphenyl)methyl]-3-phenylmorpholine-2-carboxamide
CID 124075434
4-Cyclopropyl-N-(cyclopropylmethyl)-3-phenylmorpholine-2-carboxamide
CID 124075435
N-((4-Methyl-3-oxo-2-morpholinyl)(phenyl)methyl)benzamide
CID 374242
(6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95893606
4-[2-(2-Methyl-5-phenylmorpholin-4-yl)-2-oxoethyl]morpholin-3-one
CID 121535240
4-Methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 122199169
N-(1-Benzylpiperidin-4-YL)-4-methyl-3-phenylmorpholine-2-carboxamide
CID 124068797
(4-benzylpiperazin-1-yl)-[(2R,3S)-4-methyl-3-phenylmorpholin-2-yl]methanone
CID 124075418
4-Methyl-2-[4-(pentan-3-YL)piperazine-1-carbonyl]-3-phenylmorpholine
CID 132334733

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide (CID 134703529) is 4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide is Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC(C)(C(N)=O)CC2)OCC(=O)N1C.
What is the InChIKey of 4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is PPAWWTHVWOQZGA-SJORKVTESA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13-6-4-5-7-14(13)16-17(27-12-15(24)22(16)3)18(25)23-10-8-20(2,9-11-23)19(21)26/h4-7,16-17H,8-12H2,1-3H3,(H2,21,26)/t16-,17+/m1/s1.
What are the key properties of 4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide?
4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 134703529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).