2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone

C21H29N3O4 — CID 18152993

IUPAC2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C21H29N3O4/c1-16(25)17-6-7-19(28-2)18(14-17)15-20(26)22-10-12-24(13-11-22)21(27)23-8-4-3-5-9-23/h6-7,14H,3-5,8-13,15H2,1-2H3
InChIKeyBFLBJYPGEXWUEQ-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.19
Rot. Bonds4

About 2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone

2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone (PubChem CID 18152993) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
PubChem CID18152993
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C21H29N3O4/c1-16(25)17-6-7-19(28-2)18(14-17)15-20(26)22-10-12-24(13-11-22)21(27)23-8-4-3-5-9-23/h6-7,14H,3-5,8-13,15H2,1-2H3
InChIKeyBFLBJYPGEXWUEQ-UHFFFAOYSA-N
XLogP2.19
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-acetyl-2-methoxyphenyl)-1-(4-cyclopropylpiperazin-1-yl)ethanone
CID 71936525
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone
CID 119377136
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
2-(5-acetyl-2-methoxyphenyl)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 87030730
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110767129
1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 119176135
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
2-(5-acetyl-2-methoxyphenyl)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120817845

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone (CID 18152993) is 2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone is COc1ccc(C(C)=O)cc1CC(=O)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is BFLBJYPGEXWUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-16(25)17-6-7-19(28-2)18(14-17)15-20(26)22-10-12-24(13-11-22)21(27)23-8-4-3-5-9-23/h6-7,14H,3-5,8-13,15H2,1-2H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone?
2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 387.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 18152993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).