2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

C23H36N4O3 — CID 8592720

IUPAC2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C23H36N4O3/c1-17-13-18(2)15-27(14-17)23(29)19(3)25(4)16-22(28)24-20-5-7-21(8-6-20)26-9-11-30-12-10-26/h5-8,17-19H,9-16H2,1-4H3,(H,24,28)/t17-,18+,19-/m1/s1
InChIKeyFHEPZIZSFDDNHG-CEXWTWQISA-N
MW416.57 g/mol
LogP2.29
Rot. Bonds6

About 2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 8592720) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID8592720
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C23H36N4O3/c1-17-13-18(2)15-27(14-17)23(29)19(3)25(4)16-22(28)24-20-5-7-21(8-6-20)26-9-11-30-12-10-26/h5-8,17-19H,9-16H2,1-4H3,(H,24,28)/t17-,18+,19-/m1/s1
InChIKeyFHEPZIZSFDDNHG-CEXWTWQISA-N
XLogP2.29
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N,N-di(propan-2-yl)propanamide
CID 55430711
[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592723
2-[[(1S)-1-cyclopropylethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 94825706
(2S)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 9030106
N-(2,6-dimethylphenyl)-2-[[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 51167321
2-[[(1S)-1-cyanoethyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592711
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
(2R)-N-cyclohexyl-N-ethyl-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 8592730
(2S)-N-cyclohexyl-N-ethyl-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 8592732
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
N-(2,3-dichlorophenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351462
N-(2-methoxyphenyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55351529

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 8592720) is 2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is C[C@@H]1C[C@H](C)CN(C(=O)[C@@H](C)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of 2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is FHEPZIZSFDDNHG-CEXWTWQISA-N. The full InChI is InChI=1S/C23H36N4O3/c1-17-13-18(2)15-27(14-17)23(29)19(3)25(4)16-22(28)24-20-5-7-21(8-6-20)26-9-11-30-12-10-26/h5-8,17-19H,9-16H2,1-4H3,(H,24,28)/t17-,18+,19-/m1/s1.
What are the key properties of 2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 416.57 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 8592720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).