1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide

C26H37N5O4 — CID 92869473

IUPAC1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
SMILESCC[C@H](CN1CCOCC1)NC(=O)C1CCN(c2c(C)n(-c3ccccc3)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C26H37N5O4/c1-4-21(18-29-14-16-35-17-15-29)27-24(32)20-10-12-30(13-11-20)23-19(2)31(22-8-6-5-7-9-22)26(34)28(3)25(23)33/h5-9,20-21H,4,10-18H2,1-3H3,(H,27,32)/t21-/m1/s1
InChIKeyKPCQPTKUVZCESK-OAQYLSRUSA-N
MW483.61 g/mol
LogP1.29
Rot. Bonds7

About 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide

1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 92869473) has the molecular formula C26H37N5O4 and a molecular weight of 483.61 g/mol. Its IUPAC name is 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
PubChem CID92869473
Molecular FormulaC26H37N5O4
Molecular Weight483.61 g/mol
Exact Mass483.28
IUPAC Name1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
SMILESCC[C@H](CN1CCOCC1)NC(=O)C1CCN(c2c(C)n(-c3ccccc3)c(=O)n(C)c2=O)CC1
InChIInChI=1S/C26H37N5O4/c1-4-21(18-29-14-16-35-17-15-29)27-24(32)20-10-12-30(13-11-20)23-19(2)31(22-8-6-5-7-9-22)26(34)28(3)25(23)33/h5-9,20-21H,4,10-18H2,1-3H3,(H,27,32)/t21-/m1/s1
InChIKeyKPCQPTKUVZCESK-OAQYLSRUSA-N
XLogP1.29
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 50781728
1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 46324206
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 50781737
1-[[5-[(E)-2-(2-fluorophenyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(2S)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
CID 92875152
1-(2-fluorophenyl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 17152735
1-[4-(2,5-dimethylpyrrol-1-yl)-3-methyl-1-phenylpyrazol-5-yl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 46358029
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119883213
3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 119883214
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
4-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 31370513
2-(3-ethyl-4-oxophthalazin-1-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51593829

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide (CID 92869473) is 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide is CC[C@H](CN1CCOCC1)NC(=O)C1CCN(c2c(C)n(-c3ccccc3)c(=O)n(C)c2=O)CC1.
What is the InChIKey of 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide?
The InChIKey is KPCQPTKUVZCESK-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H37N5O4/c1-4-21(18-29-14-16-35-17-15-29)27-24(32)20-10-12-30(13-11-20)23-19(2)31(22-8-6-5-7-9-22)26(34)28(3)25(23)33/h5-9,20-21H,4,10-18H2,1-3H3,(H,27,32)/t21-/m1/s1.
What are the key properties of 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide?
1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 483.61 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 92869473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).