2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C21H30N2O3 — CID 55500827

IUPAC2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(C(=O)C2CCN(CC(=O)N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C21H30N2O3/c1-16-7-13-23(14-8-16)20(24)15-22-11-9-18(10-12-22)21(25)17-3-5-19(26-2)6-4-17/h3-6,16,18H,7-15H2,1-2H3
InChIKeyQBPMZXNZCNTIKB-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.85
Rot. Bonds5

About 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 55500827) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID55500827
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc(C(=O)C2CCN(CC(=O)N3CCC(C)CC3)CC2)cc1
InChIInChI=1S/C21H30N2O3/c1-16-7-13-23(14-8-16)20(24)15-22-11-9-18(10-12-22)21(25)17-3-5-19(26-2)6-4-17/h3-6,16,18H,7-15H2,1-2H3
InChIKeyQBPMZXNZCNTIKB-UHFFFAOYSA-N
XLogP2.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 33365745
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
3-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 25473522
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 25473025
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
CID 25474322
3-(4-ethylphenyl)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 25474786
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[4-[(Z)-1-fluoro-2-(4-methoxyphenyl)ethenyl]piperidin-1-yl]-2-piperidin-1-ylethanone
CID 59686465
4-[[2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetyl]amino]benzamide
CID 16605975
3-methoxy-N-methyl-N-[(4R)-1-[2-(4-methylpiperidin-1-yl)acetyl]azepan-4-yl]benzamide
CID 92631886
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 55500827) is 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is COc1ccc(C(=O)C2CCN(CC(=O)N3CCC(C)CC3)CC2)cc1.
What is the InChIKey of 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is QBPMZXNZCNTIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16-7-13-23(14-8-16)20(24)15-22-11-9-18(10-12-22)21(25)17-3-5-19(26-2)6-4-17/h3-6,16,18H,7-15H2,1-2H3.
What are the key properties of 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 358.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 55500827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).