2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one

C36H70N6O5 — CID 159299365

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)N1CCOCC1.CC(C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C10H20N2O.C9H18N2O.C9H17NO.C8H15NO2/c1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(10)9-3-5-11-6-4-9/h8-9H,4-7H2,1-3H3,(H,11,13);8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyLBDBTBKNQOYKQJ-UHFFFAOYSA-N
MW666.99 g/mol
LogP3.43
Rot. Bonds5

About 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one

2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one (PubChem CID 159299365) has the molecular formula C36H70N6O5 and a molecular weight of 666.99 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
PubChem CID159299365
Molecular FormulaC36H70N6O5
Molecular Weight666.99 g/mol
Exact Mass666.54
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)N1CCOCC1.CC(C)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C10H20N2O.C9H18N2O.C9H17NO.C8H15NO2/c1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(10)9-3-5-11-6-4-9/h8-9H,4-7H2,1-3H3,(H,11,13);8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyLBDBTBKNQOYKQJ-UHFFFAOYSA-N
XLogP3.43
TPSA105.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500666.99
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-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

2-methoxy-N-[[(2R,4S,5S)-5-[(4-methylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]acetamide
CID 44716385
1-isobutyryl-N-(2-morpholin-4-ylbutyl)piperidin-4-amine
CID 50975339
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 23540195
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 23540196
2-(4-ethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-N-piperidin-4-ylacetamide
CID 68185905
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-N-piperidin-4-ylacetamide
CID 118052251
1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]ethanone
CID 141468089
1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]ethanone
CID 141468135
2-methyl-1-[4-[4-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 141468226
2-methyl-1-[4-[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-4-yl]piperazin-1-yl]propan-1-one
CID 141468260
2-amino-N,3-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide;2-amino-3-methyl-N-(2-methyl-1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;ethane;2-[ethyl(methyl)amino]-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 142295483
2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide;2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 142295488

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one (CID 159299365) is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one is CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)N1CCOCC1.CC(C)C(=O)NC1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is LBDBTBKNQOYKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C9H18N2O.C9H17NO.C8H15NO2/c1-8(2)10(13)11-9-4-6-12(3)7-5-9;1-8(2)9(12)11-6-4-10(3)5-7-11;1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(10)9-3-5-11-6-4-9/h8-9H,4-7H2,1-3H3,(H,11,13);8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 666.99 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 159299365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).