1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid

C24H34N4O5 — CID 172911074

IUPAC1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid
SMILESCOc1ccccc1N1CCN(C(=O)c2c(C)ccn(C(C)CN(C)C)c2=O)CC1.O=CO
InChIInChI=1S/C23H32N4O3.CH2O2/c1-17-10-11-27(18(2)16-24(3)4)23(29)21(17)22(28)26-14-12-25(13-15-26)19-8-6-7-9-20(19)30-5;2-1-3/h6-11,18H,12-16H2,1-5H3;1H,(H,2,3)
InChIKeySQYJTAZEHLIRTC-UHFFFAOYSA-N
MW458.56 g/mol
LogP1.95
Rot. Bonds6

About 1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid

1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid (PubChem CID 172911074) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid
PubChem CID172911074
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid
SMILESCOc1ccccc1N1CCN(C(=O)c2c(C)ccn(C(C)CN(C)C)c2=O)CC1.O=CO
InChIInChI=1S/C23H32N4O3.CH2O2/c1-17-10-11-27(18(2)16-24(3)4)23(29)21(17)22(28)26-14-12-25(13-15-26)19-8-6-7-9-20(19)30-5;2-1-3/h6-11,18H,12-16H2,1-5H3;1H,(H,2,3)
InChIKeySQYJTAZEHLIRTC-UHFFFAOYSA-N
XLogP1.95
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(azocane-1-carbonyl)-1-(2-methoxyphenyl)-4-methylpyridin-2-one
CID 172663458
methyl 1-[[1-[1-(dimethylamino)propan-2-yl]-4-methyl-2-oxopyridine-3-carbonyl]amino]cyclopropane-1-carboxylate
CID 172665005
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 42153662
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2741374
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108530720
ethyl 4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 5240566
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
propan-2-yl 5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27665309
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109319316

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid (CID 172911074) is 1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid is COc1ccccc1N1CCN(C(=O)c2c(C)ccn(C(C)CN(C)C)c2=O)CC1.O=CO.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid?
The InChIKey is SQYJTAZEHLIRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3.CH2O2/c1-17-10-11-27(18(2)16-24(3)4)23(29)21(17)22(28)26-14-12-25(13-15-26)19-8-6-7-9-20(19)30-5;2-1-3/h6-11,18H,12-16H2,1-5H3;1H,(H,2,3).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid?
1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid has a molecular weight of 458.56 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylpyridin-2-one;formic acid is sourced from PubChem (CID 172911074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).