1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one

C82H169FN12O10S — CID 159077265

About 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one

1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 159077265) has the molecular formula C82H169FN12O10S and a molecular weight of 1534.39 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
• PubChem CID: 159077265
• Molecular Formula: C82H169FN12O10S
• Molecular Weight: 1534.39 g/mol
• Exact Mass: 1533.28
• IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
• SMILES: C.C.C.C.C=C(C)NC1CCN(C(=O)C(C)(C)C)CC1.C=S(C)(=O)NC1CCN(C(=O)C(C)(C)C)CC1.CC(=O)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCC(N)CC1.CC1CCN(C(=O)C(C)C)CC1.CCC(F)CNC(=O)C(C)(C)C.CCCNC(=O)C(C)(C)C.CNC(=O)C(C)C
• InChI: InChI=1S/C13H24N2O.C12H24N2O2S.C11H20N2O2.C10H20N2O.C10H19NO.C9H18FNO.C8H17NO.C5H11NO.4CH4/c1-10(2)14-11-6-8-15(9-7-11)12(16)13(3,4)5;1-12(2,3)11(15)14-8-6-10(7-9-14)13-17(4,5)16;1-9(14)12-5-7-13(8-6-12)10(15)11(2,3)4;1-10(2,3)9(13)12-6-4-8(11)5-7-12;1-8(2)10(12)11-6-4-9(3)5-7-11;1-5-7(10)6-11-8(12)9(2,3)4;1-5-6-9-7(10)8(2,3)4;1-4(2)5(7)6-3;;;;/h11,14H,1,6-9H2,2-5H3;10H,4,6-9H2,1-3,5H3,(H,13,16);5-8H2,1-4H3;8H,4-7,11H2,1-3H3;8-9H,4-7H2,1-3H3;7H,5-6H2,1-4H3,(H,11,12);5-6H2,1-4H3,(H,9,10);4H,1-3H3,(H,6,7);4*1H4
• InChIKey: KAKGWCVXDHSGJB-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 276.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1534.39
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one?

The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one (CID 159077265) is 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one.

What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one?

The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one is C.C.C.C.C=C(C)NC1CCN(C(=O)C(C)(C)C)CC1.C=S(C)(=O)NC1CCN(C(=O)C(C)(C)C)CC1.CC(=O)N1CCN(C(=O)C(C)(C)C)CC1.CC(C)(C)C(=O)N1CCC(N)CC1.CC1CCN(C(=O)C(C)C)CC1.CCC(F)CNC(=O)C(C)(C)C.CCCNC(=O)C(C)(C)C.CNC(=O)C(C)C.

What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one?

The InChIKey is KAKGWCVXDHSGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C12H24N2O2S.C11H20N2O2.C10H20N2O.C10H19NO.C9H18FNO.C8H17NO.C5H11NO.4CH4/c1-10(2)14-11-6-8-15(9-7-11)12(16)13(3,4)5;1-12(2,3)11(15)14-8-6-10(7-9-14)13-17(4,5)16;1-9(14)12-5-7-13(8-6-12)10(15)11(2,3)4;1-10(2,3)9(13)12-6-4-8(11)5-7-12;1-8(2)10(12)11-6-4-9(3)5-7-11;1-5-7(10)6-11-8(12)9(2,3)4;1-5-6-9-7(10)8(2,3)4;1-4(2)5(7)6-3;;;;/h11,14H,1,6-9H2,2-5H3;10H,4,6-9H2,1-3,5H3,(H,13,16);5-8H2,1-4H3;8H,4-7,11H2,1-3H3;8-9H,4-7H2,1-3H3;7H,5-6H2,1-4H3,(H,11,12);5-6H2,1-4H3,(H,9,10);4H,1-3H3,(H,6,7);4*1H4.

What are the key properties of 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one?

1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 1534.39 g/mol, XLogP of 13.02, 11 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;1-(4-aminopiperidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]piperidin-1-yl]propan-1-one;N,2-dimethylpropanamide;2,2-dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one;2,2-dimethyl-N-propylpropanamide;N-(2-fluorobutyl)-2,2-dimethylpropanamide;methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 159077265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).