2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one

C34H66N6O5 — CID 158842354

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-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)N1CCNCC1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O.C9H17NO.C8H16N2O.C8H15NO2/c1-8(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(11)10-5-3-9-4-6-10;1-7(2)8(10)9-3-5-11-6-4-9/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7,9H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyIYKCMCCMMYDPCU-UHFFFAOYSA-N
MW638.94 g/mol
LogP2.65
Rot. Bonds4

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

2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one (PubChem CID 158842354) has the molecular formula C34H66N6O5 and a molecular weight of 638.94 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-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-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
PubChem CID158842354
Molecular FormulaC34H66N6O5
Molecular Weight638.94 g/mol
Exact Mass638.51
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-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)N1CCNCC1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O.C9H17NO.C8H16N2O.C8H15NO2/c1-8(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(11)10-5-3-9-4-6-10;1-7(2)8(10)9-3-5-11-6-4-9/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7,9H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyIYKCMCCMMYDPCU-UHFFFAOYSA-N
XLogP2.65
TPSA105.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.94
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

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-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone;ethane;N-ethyl-N-methylpropanamide;N-ethylpropan-1-amine
CID 145317202
ethane;N-ethyl-N-methylethanamine;N-ethyl-N-methylpropanamide;2-(methylamino)-1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 145317226
N-(2-aminoethyl)-N,3-dimethylbutanamide;N-(2-aminoethyl)-3-methylbutanamide;N-(3-aminopropyl)-N-methylpropanamide;N-(3-aminopropyl)propanamide;1-(1,4-diazepan-1-yl)-3-methylbutan-1-one;N-[2-(dimethylamino)ethyl]propanamide;N,3-dimethylbutanamide;ethane;N-ethyl-3-methylbutanamide;N-(2-methoxyethyl)-N-methylpropanamide;N-(2-methoxyethyl)propanamide;N-[3-(methylamino)propyl]propanamide;3-methylbutanamide;3-methyl-N-[2-(methylamino)ethyl]butanamide;N-methyl-N-[2-(methylamino)ethyl]propanamide;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one;N-piperidin-4-ylpropanamide;1-piperidin-1-ylpropan-1-one
CID 157229740
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide
CID 157393013
N,N-dimethylmethanamine;2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;1-(2-methoxyethyl)piperidine;4-methylmorpholine;1-methylpiperidine;N,N',N'-trimethylethane-1,2-diamine
CID 157718752
N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one
CID 158320092
N,N-dimethylethanamine;ethanamine;N-ethylethanamine;N-ethyl-2-methoxy-N-methylethanamine;1-ethyl-4-methylpiperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)ethanone;1-ethylpiperidine;N-ethylpropan-1-amine;1-ethylpyrrolidine;N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;N'-ethyl-N,N,N'-trimethylpropane-1,3-diamine;N-methylethanamine
CID 158340651
1-Methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine
CID 158464480
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-N-(1-methylpiperidin-4-yl)propanamide;bis(2-methyl-1-piperidin-1-ylpropan-1-one)
CID 158649479
1-(Azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
CID 158750317

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-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-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one (CID 158842354) is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-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-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-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-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-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)N1CCNCC1.CC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is IYKCMCCMMYDPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C9H17NO.C8H16N2O.C8H15NO2/c1-8(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(11)10-5-3-9-4-6-10;1-7(2)8(10)9-3-5-11-6-4-9/h8H,4-7H2,1-3H3;8H,3-7H2,1-2H3;7,9H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 638.94 g/mol, XLogP of 2.65, 4 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-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 158842354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).