4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one

C16H30N4O2 — CID 119898937

IUPAC4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one
SMILESCNCCCC(=O)N1CCN(C(C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H30N4O2/c1-14(16(22)20-8-3-4-9-20)18-10-12-19(13-11-18)15(21)6-5-7-17-2/h14,17H,3-13H2,1-2H3
InChIKeyJGVUSQGKXQGJPS-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.14
Rot. Bonds6

About 4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one

4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one (PubChem CID 119898937) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one
PubChem CID119898937
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one
SMILESCNCCCC(=O)N1CCN(C(C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C16H30N4O2/c1-14(16(22)20-8-3-4-9-20)18-10-12-19(13-11-18)15(21)6-5-7-17-2/h14,17H,3-13H2,1-2H3
InChIKeyJGVUSQGKXQGJPS-UHFFFAOYSA-N
XLogP0.14
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898989
4-amino-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pentan-1-one
CID 120565930
4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide
CID 86891199
4-(methylamino)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 60840946
1-(1,4-diazepan-1-yl)-4-(methylamino)butan-1-one
CID 60842229
(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95295952
4-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119806019
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119894437
1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
CID 62930046
N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide
CID 75507547
4-(methylamino)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 60649292
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butane-1,4-dione
CID 86890818

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one (CID 119898937) is 4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one is CNCCCC(=O)N1CCN(C(C)C(=O)N2CCCC2)CC1.
What is the InChIKey of 4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one?
The InChIKey is JGVUSQGKXQGJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-14(16(22)20-8-3-4-9-20)18-10-12-19(13-11-18)15(21)6-5-7-17-2/h14,17H,3-13H2,1-2H3.
What are the key properties of 4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one?
4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one has a molecular weight of 310.44 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119898937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).