4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one

C16H30N4O3 — CID 120594917

IUPAC4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one
SMILESCOC(CN)CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H30N4O3/c1-23-14(12-17)11-15(21)20-9-7-18(8-10-20)13-16(22)19-5-3-2-4-6-19/h14H,2-13,17H2,1H3
InChIKeyGKVJJEXINNMESX-UHFFFAOYSA-N
MW326.44 g/mol
LogP-0.49
Rot. Bonds6

About 4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one

4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one (PubChem CID 120594917) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one
PubChem CID120594917
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one
SMILESCOC(CN)CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H30N4O3/c1-23-14(12-17)11-15(21)20-9-7-18(8-10-20)13-16(22)19-5-3-2-4-6-19/h14H,2-13,17H2,1H3
InChIKeyGKVJJEXINNMESX-UHFFFAOYSA-N
XLogP-0.49
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one with MolForge

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Related Compounds

4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 103155298
3-amino-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119844153
4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
CID 103155888
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120595485
4-amino-1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-methoxybutan-1-one
CID 120596449
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 63343509
4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 103154344
4-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120596615
2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 120594769
4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride
CID 120591144
4-amino-3-methoxy-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120594946

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one (CID 120594917) is 4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one is COC(CN)CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one?
The InChIKey is GKVJJEXINNMESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-23-14(12-17)11-15(21)20-9-7-18(8-10-20)13-16(22)19-5-3-2-4-6-19/h14H,2-13,17H2,1H3.
What are the key properties of 4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one?
4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one has a molecular weight of 326.44 g/mol, XLogP of -0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 120594917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).