1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one

C31H62N6O4 — CID 54234763

IUPAC1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one
SMILESCC(=O)CCN1CCCCC1.CC(=O)CN1CCN(C)CC1.CCCN1CCN(CC(C)=O)CC1.CNCC(C)=O
InChIInChI=1S/C10H20N2O.C9H17NO.C8H16N2O.C4H9NO/c1-3-4-11-5-7-12(8-6-11)9-10(2)13;1-9(11)5-8-10-6-3-2-4-7-10;1-8(11)7-10-5-3-9(2)4-6-10;1-4(6)3-5-2/h3-9H2,1-2H3;2-8H2,1H3;3-7H2,1-2H3;5H,3H2,1-2H3
InChIKeyQLTNPTQIEIPVOE-UHFFFAOYSA-N
MW582.88 g/mol
LogP1.67
Rot. Bonds11

About 1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one

1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one (PubChem CID 54234763) has the molecular formula C31H62N6O4 and a molecular weight of 582.88 g/mol. Its IUPAC name is 1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one
PubChem CID54234763
Molecular FormulaC31H62N6O4
Molecular Weight582.88 g/mol
Exact Mass582.48
IUPAC Name1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one
SMILESCC(=O)CCN1CCCCC1.CC(=O)CN1CCN(C)CC1.CCCN1CCN(CC(C)=O)CC1.CNCC(C)=O
InChIInChI=1S/C10H20N2O.C9H17NO.C8H16N2O.C4H9NO/c1-3-4-11-5-7-12(8-6-11)9-10(2)13;1-9(11)5-8-10-6-3-2-4-7-10;1-8(11)7-10-5-3-9(2)4-6-10;1-4(6)3-5-2/h3-9H2,1-2H3;2-8H2,1H3;3-7H2,1-2H3;5H,3H2,1-2H3
InChIKeyQLTNPTQIEIPVOE-UHFFFAOYSA-N
XLogP1.67
TPSA96.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.88
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one 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

bis(1-butylpiperidin-4-one);bis(N-methylmethanamine)
CID 70277216
N-[6-(methylamino)hexyl]-2-[4-(2-oxopropyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]acetamide
CID 129292850
4-(Methylamino)-1-(propan-2-ylamino)butan-2-one;3-piperidin-1-yl-1-propan-2-ylpiperidine
CID 156651582
1-(Methylamino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 159023353
3-Methyl-1-(4-methylpiperazin-1-yl)butan-2-one;3-methyl-1-piperazin-1-ylbutan-2-one;3-methyl-1-piperidin-1-ylbutan-2-one
CID 159319034
Methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;3-methyl-1-piperazin-1-ylbutan-2-one;3-methyl-1-piperidin-1-ylbutan-2-one
CID 159657528
Bis[4-[2-(dimethylamino)ethyl]piperazin-2-yl]methanone
CID 174594660

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one (CID 54234763) is 1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one is CC(=O)CCN1CCCCC1.CC(=O)CN1CCN(C)CC1.CCCN1CCN(CC(C)=O)CC1.CNCC(C)=O.
What is the InChIKey of 1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one?
The InChIKey is QLTNPTQIEIPVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C9H17NO.C8H16N2O.C4H9NO/c1-3-4-11-5-7-12(8-6-11)9-10(2)13;1-9(11)5-8-10-6-3-2-4-7-10;1-8(11)7-10-5-3-9(2)4-6-10;1-4(6)3-5-2/h3-9H2,1-2H3;2-8H2,1H3;3-7H2,1-2H3;5H,3H2,1-2H3.
What are the key properties of 1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one?
1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one has a molecular weight of 582.88 g/mol, XLogP of 1.67, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)propan-2-one;1-(4-methylpiperazin-1-yl)propan-2-one;4-piperidin-1-ylbutan-2-one;1-(4-propylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 54234763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).