1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride

C15H25ClN4O3 — CID 119647142

IUPAC1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
SMILESCCNCC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1.Cl
InChIInChI=1S/C15H24N4O3.ClH/c1-3-16-10-12-4-7-18(8-5-12)14(21)11-19-9-6-13(20)17(2)15(19)22;/h6,9,12,16H,3-5,7-8,10-11H2,1-2H3;1H
InChIKeyXUDBHQDGQJGLRT-UHFFFAOYSA-N
MW344.84 g/mol
LogP-0.18
Rot. Bonds5

About 1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride

1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride (PubChem CID 119647142) has the molecular formula C15H25ClN4O3 and a molecular weight of 344.84 g/mol. Its IUPAC name is 1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
PubChem CID119647142
Molecular FormulaC15H25ClN4O3
Molecular Weight344.84 g/mol
Exact Mass344.16
IUPAC Name1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
SMILESCCNCC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1.Cl
InChIInChI=1S/C15H24N4O3.ClH/c1-3-16-10-12-4-7-18(8-5-12)14(21)11-19-9-6-13(20)17(2)15(19)22;/h6,9,12,16H,3-5,7-8,10-11H2,1-2H3;1H
InChIKeyXUDBHQDGQJGLRT-UHFFFAOYSA-N
XLogP-0.18
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride with MolForge

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Related Compounds

1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 62917794
3-methyl-1-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 119491896
1-[2-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 124590048
3-methyl-1-[2-[(3S)-3-methylpiperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 124591308
1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride
CID 119468653
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-methoxyethanone;hydrochloride
CID 119645863
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone;hydrochloride
CID 119261256
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 97024370
2-[1-[2-(2,4-dioxopyrimidin-1-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612721
2-(2,6-dimethoxyphenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119646882
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119261261
2-[4-(ethylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63849774

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride (CID 119647142) is 1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride is CCNCC1CCN(C(=O)Cn2ccc(=O)n(C)c2=O)CC1.Cl.
What is the InChIKey of 1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
The InChIKey is XUDBHQDGQJGLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3.ClH/c1-3-16-10-12-4-7-18(8-5-12)14(21)11-19-9-6-13(20)17(2)15(19)22;/h6,9,12,16H,3-5,7-8,10-11H2,1-2H3;1H.
What are the key properties of 1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride?
1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride has a molecular weight of 344.84 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-3-methylpyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 119647142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).