6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

C22H28N4O5 — CID 55501065

IUPAC6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(C(=O)C2CCN(C(C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc1
InChIInChI=1S/C22H28N4O5/c1-13(18(27)17-20(23)24(2)22(30)25(3)21(17)29)26-11-9-15(10-12-26)19(28)14-5-7-16(31-4)8-6-14/h5-8,13,15H,9-12,23H2,1-4H3
InChIKeyZKBJDVPWZGYQLS-UHFFFAOYSA-N
MW428.49 g/mol
LogP0.84
Rot. Bonds6

About 6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 55501065) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is 6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID55501065
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Name6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(C(=O)C2CCN(C(C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc1
InChIInChI=1S/C22H28N4O5/c1-13(18(27)17-20(23)24(2)22(30)25(3)21(17)29)26-11-9-15(10-12-26)19(28)14-5-7-16(31-4)8-6-14/h5-8,13,15H,9-12,23H2,1-4H3
InChIKeyZKBJDVPWZGYQLS-UHFFFAOYSA-N
XLogP0.84
TPSA116.63 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminopiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62029201
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
2-(4-hydroxypiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 60680419
6-amino-5-[(2R)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 41379832
[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 40898363
N-(2,6-dimethylphenyl)-2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanamide
CID 55501519
(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone
CID 136524982
1-(4-methoxyphenyl)-2-piperidin-1-ylpropan-1-one
CID 43227136
2-(3-aminopyrrolidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62068455
2-[4-(hydroxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 62024780
1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)propan-1-one
CID 43227288
2-(4,4-dimethylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one
CID 62931770

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (CID 55501065) is 6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is COc1ccc(C(=O)C2CCN(C(C)C(=O)c3c(N)n(C)c(=O)n(C)c3=O)CC2)cc1.
What is the InChIKey of 6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ZKBJDVPWZGYQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-13(18(27)17-20(23)24(2)22(30)25(3)21(17)29)26-11-9-15(10-12-26)19(28)14-5-7-16(31-4)8-6-14/h5-8,13,15H,9-12,23H2,1-4H3.
What are the key properties of 6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 428.49 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[4-(4-methoxybenzoyl)piperidin-1-yl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 55501065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).