2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one

C47H91N7O6 — CID 167544026

IUPAC2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)C(=O)N1CCOCC1.CN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H20N2O.C10H19NO.C9H18N2O.C9H17NO2.C9H17NO/c1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10/h5-8H2,1-4H3;4-8H2,1-3H3;10H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyBODWJWDQSSXHNY-UHFFFAOYSA-N
MW850.29 g/mol
LogP5.86
Rot. Bonds

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

2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 167544026) has the molecular formula C47H91N7O6 and a molecular weight of 850.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID167544026
Molecular FormulaC47H91N7O6
Molecular Weight850.29 g/mol
Exact Mass849.70
IUPAC Name2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)C(=O)N1CCOCC1.CN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H20N2O.C10H19NO.C9H18N2O.C9H17NO2.C9H17NO/c1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10/h5-8H2,1-4H3;4-8H2,1-3H3;10H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyBODWJWDQSSXHNY-UHFFFAOYSA-N
XLogP5.86
TPSA126.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.29
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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
1-(Azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 158160489
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
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
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
N,N-dimethylpropan-2-amine;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-morpholin-4-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperidin-1-yl-N-propan-2-ylacetamide;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;trimethyl(propan-2-yl)azanium
CID 159537635
Ethane;methane;4-methylmorpholine;1-methylpiperazin-4-ide;bis(1-methylpiperidine);1-methylpyrrolidin-2-one;rubidium(1+)
CID 159887928
N,N-dimethylethanamine;ethanamine;N-ethyl-2-methoxy-N-methylethanamine;1-ethyl-4-methylpiperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)ethanone;1-ethylpiperidine;1-ethylpyrrolidine;N'-ethyl-N,N,N'-trimethylethane-1,2-diamine;2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;4-(2-methoxyethyl)morpholine;1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;1-(2-methoxyethyl)piperidine;1-(2-methoxyethyl)pyrrolidine;N-methylethanamine
CID 159984583
N,N-diethylethanamine;N,N-diethyl-2-methoxyethanamine;1,4-diethylpiperazine;ethanamine;2-ethoxy-N,N-diethylethanamine;N-ethylethanamine;1-ethyl-4-(2-methoxyethyl)piperazine;4-ethylmorpholine;1-(4-ethylpiperazin-1-yl)propan-1-one;1-ethylpiperidine;1-ethylpyrrolidine;4-(2-methoxyethyl)morpholine;1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one;1-(2-methoxyethyl)piperidine;1-(2-methoxyethyl)pyrrolidine;N,N,N',N'-tetraethylethane-1,2-diamine
CID 160091361
1-(Azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 160285391
1-Tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperidine;1-tert-butylpyrrolidine
CID 160524834
N-[2-(dimethylamino)ethyl]propanamide;N,N-dimethylmethanamine;2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;1-(2-methoxyethyl)piperidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)propan-1-one;1-methylpiperidine;N,N',N'-trimethylethane-1,2-diamine
CID 161252831

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one (CID 167544026) is 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one is CC(C)(C)C(=O)N1CCCC1.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C(=O)N1CCNCC1.CC(C)(C)C(=O)N1CCOCC1.CN1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BODWJWDQSSXHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C10H19NO.C9H18N2O.C9H17NO2.C9H17NO/c1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-10(2,3)9(12)11-7-5-4-6-8-11;1-9(2,3)8(12)11-6-4-10-5-7-11;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10-6-4-5-7-10/h5-8H2,1-4H3;4-8H2,1-3H3;10H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one?
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 850.29 g/mol, XLogP of 5.86, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 167544026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).