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

C23H27ClN4O4 — CID 110122381

IUPACN-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C2CN(CC(=O)Nc3ccc(NC(C)=O)cc3Cl)CCN2C(C)=O)cc1
InChIInChI=1S/C23H27ClN4O4/c1-15(29)25-18-6-9-21(20(24)12-18)26-23(31)14-27-10-11-28(16(2)30)22(13-27)17-4-7-19(32-3)8-5-17/h4-9,12,22H,10-11,13-14H2,1-3H3,(H,25,29)(H,26,31)
InChIKeyWSXUMJWOOAJBHB-UHFFFAOYSA-N
MW458.95 g/mol
LogP3.15
Rot. Bonds6

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

N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 110122381) has the molecular formula C23H27ClN4O4 and a molecular weight of 458.95 g/mol. Its IUPAC name is N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID110122381
Molecular FormulaC23H27ClN4O4
Molecular Weight458.95 g/mol
Exact Mass458.17
IUPAC NameN-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C2CN(CC(=O)Nc3ccc(NC(C)=O)cc3Cl)CCN2C(C)=O)cc1
InChIInChI=1S/C23H27ClN4O4/c1-15(29)25-18-6-9-21(20(24)12-18)26-23(31)14-27-10-11-28(16(2)30)22(13-27)17-4-7-19(32-3)8-5-17/h4-9,12,22H,10-11,13-14H2,1-3H3,(H,25,29)(H,26,31)
InChIKeyWSXUMJWOOAJBHB-UHFFFAOYSA-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-[(3R)-4-acetyl-3-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 124988688
2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 124960017
2-[(3S,3aS,7aR)-1-acetyl-3-(4-methoxyphenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-N-(4-acetamidophenyl)acetamide
CID 110152600
N-[3-chloro-4-[[2-[(3R)-3-methylpiperidin-1-yl]acetyl]amino]phenyl]propanamide
CID 858222
1-[2-(4-methoxyphenyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 110109735
N-(3-chloro-4-methylphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910107
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 124966168
2-(4-acetyl-3-phenylpiperazin-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 132773685
methyl 4-[2-(2,4-dichloroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 78900235
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 106671846
2-[(3S)-4-acetyl-3-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 124939525

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide (CID 110122381) is N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccc(C2CN(CC(=O)Nc3ccc(NC(C)=O)cc3Cl)CCN2C(C)=O)cc1.
What is the InChIKey of N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is WSXUMJWOOAJBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4/c1-15(29)25-18-6-9-21(20(24)12-18)26-23(31)14-27-10-11-28(16(2)30)22(13-27)17-4-7-19(32-3)8-5-17/h4-9,12,22H,10-11,13-14H2,1-3H3,(H,25,29)(H,26,31).
What are the key properties of N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide?
N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-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-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 110122381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).