N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide

C23H27ClN4O4 — CID 124988688

IUPACN-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1[C@@H]1CN(CC(=O)Nc2ccc(NC(C)=O)cc2Cl)CCN1C(C)=O
InChIInChI=1S/C23H27ClN4O4/c1-15(29)25-17-8-9-20(19(24)12-17)26-23(31)14-27-10-11-28(16(2)30)21(13-27)18-6-4-5-7-22(18)32-3/h4-9,12,21H,10-11,13-14H2,1-3H3,(H,25,29)(H,26,31)/t21-/m0/s1
InChIKeyOOPUNTMQZTZODT-NRFANRHFSA-N
MW458.95 g/mol
LogP3.15
Rot. Bonds6

About N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide

N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 124988688) has the molecular formula C23H27ClN4O4 and a molecular weight of 458.95 g/mol. Its IUPAC name is N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID124988688
Molecular FormulaC23H27ClN4O4
Molecular Weight458.95 g/mol
Exact Mass458.17
IUPAC NameN-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1[C@@H]1CN(CC(=O)Nc2ccc(NC(C)=O)cc2Cl)CCN1C(C)=O
InChIInChI=1S/C23H27ClN4O4/c1-15(29)25-17-8-9-20(19(24)12-17)26-23(31)14-27-10-11-28(16(2)30)21(13-27)18-6-4-5-7-22(18)32-3/h4-9,12,21H,10-11,13-14H2,1-3H3,(H,25,29)(H,26,31)/t21-/m0/s1
InChIKeyOOPUNTMQZTZODT-NRFANRHFSA-N
XLogP3.15
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 110122381
2-[(3S)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 124991590
N-(2,4-dichlorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653668
1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124977259
1-[(2S)-2-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 124948906
1-[2-(2-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 110098246
1-[2-(2-methoxyphenyl)-4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 110109685
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2264838
1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124955238
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-2-(1,3-dihydroisoindol-2-yl)acetamide
CID 131890366
1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 124948692
N-(5-acetamido-2-methoxyphenyl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 37385958

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide (CID 124988688) is N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccccc1[C@@H]1CN(CC(=O)Nc2ccc(NC(C)=O)cc2Cl)CCN1C(C)=O.
What is the InChIKey of N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is OOPUNTMQZTZODT-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27ClN4O4/c1-15(29)25-17-8-9-20(19(24)12-17)26-23(31)14-27-10-11-28(16(2)30)21(13-27)18-6-4-5-7-22(18)32-3/h4-9,12,21H,10-11,13-14H2,1-3H3,(H,25,29)(H,26,31)/t21-/m0/s1.
What are the key properties of N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide?
N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 458.95 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2-chlorophenyl)-2-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 124988688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).