1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide

C22H31N3O4 — CID 91953848

IUPAC1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(C2C(C(=O)N3CCCC(C(=O)NC(C)C)C3)OCC(=O)N2C)cc1
InChIInChI=1S/C22H31N3O4/c1-14(2)23-21(27)17-6-5-11-25(12-17)22(28)20-19(24(4)18(26)13-29-20)16-9-7-15(3)8-10-16/h7-10,14,17,19-20H,5-6,11-13H2,1-4H3,(H,23,27)
InChIKeyRHYKHJYFZLTUMS-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.66
Rot. Bonds4

About 1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide

1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 91953848) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID91953848
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCc1ccc(C2C(C(=O)N3CCCC(C(=O)NC(C)C)C3)OCC(=O)N2C)cc1
InChIInChI=1S/C22H31N3O4/c1-14(2)23-21(27)17-6-5-11-25(12-17)22(28)20-19(24(4)18(26)13-29-20)16-9-7-15(3)8-10-16/h7-10,14,17,19-20H,5-6,11-13H2,1-4H3,(H,23,27)
InChIKeyRHYKHJYFZLTUMS-UHFFFAOYSA-N
XLogP1.66
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one
CID 97457457
(5R,6S)-5-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]morpholin-3-one
CID 98881799
(5R,6S)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]-5-phenylmorpholin-3-one
CID 98768939
(5S,6R)-6-(azepane-1-carbonyl)-5-(4-fluorophenyl)-4-methylmorpholin-3-one
CID 97457639
(5S,6S)-5-(4-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 97457645
(2S,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739578
(2R,3S)-3-(4-chlorophenyl)-4-methyl-5-oxo-N-propan-2-ylmorpholine-2-carboxamide
CID 95739579
(3S)-1-N-[4-[(4-methylphenyl)carbamoylamino]phenyl]-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 95116232
(2R,3R)-N-(4-fluorophenyl)-4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 97457319
(5R,6S)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738417
(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738418
(5R,6S)-6-(azepane-1-carbonyl)-4-methyl-5-(2-methylphenyl)morpholin-3-one
CID 134710331

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide (CID 91953848) is 1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide is Cc1ccc(C2C(C(=O)N3CCCC(C(=O)NC(C)C)C3)OCC(=O)N2C)cc1.
What is the InChIKey of 1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is RHYKHJYFZLTUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-14(2)23-21(27)17-6-5-11-25(12-17)22(28)20-19(24(4)18(26)13-29-20)16-9-7-15(3)8-10-16/h7-10,14,17,19-20H,5-6,11-13H2,1-4H3,(H,23,27).
What are the key properties of 1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide?
1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(4-methylphenyl)-5-oxomorpholine-2-carbonyl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 91953848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).