N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide

C21H32N4O3 — CID 51225610

IUPACN-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C21H32N4O3/c1-5-24(14-21(28)25-15(2)7-6-8-16(25)3)13-20(27)23-19-11-9-18(10-12-19)22-17(4)26/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyGYQRQQOSXHGDIJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP2.69
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide

N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide (PubChem CID 51225610) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide
PubChem CID51225610
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C21H32N4O3/c1-5-24(14-21(28)25-15(2)7-6-8-16(25)3)13-20(27)23-19-11-9-18(10-12-19)22-17(4)26/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyGYQRQQOSXHGDIJ-UHFFFAOYSA-N
XLogP2.69
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 78817860
N-(4-acetamidophenyl)-2-[[2-(azocan-1-yl)-2-oxoethyl]-ethylamino]acetamide
CID 8791526
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-(4-methylphenyl)acetamide
CID 8779968
2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8641907
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 42900565
N-(4-acetamidophenyl)-2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 8779925
N-(4-acetamidophenyl)-2-[ethyl(piperidin-3-ylmethyl)amino]acetamide
CID 119929411
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8780129
N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide
CID 55830518
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylazanium
CID 11933173
2-[[(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 11935742
N-(4-acetamidophenyl)-2-[[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]-ethylamino]acetamide
CID 8791474

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide (CID 51225610) is N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)N1C(C)CCCC1C.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide?
The InChIKey is GYQRQQOSXHGDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-5-24(14-21(28)25-15(2)7-6-8-16(25)3)13-20(27)23-19-11-9-18(10-12-19)22-17(4)26/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide?
N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide has a molecular weight of 388.51 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-ethylamino]acetamide is sourced from PubChem (CID 51225610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).