3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one

C95H185F3N14O8 — CID 165046249

IUPAC3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one
SMILESCC(C)CC(=O)C1CCN(C(C)C)C1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CCC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCC(C(=O)CCCC(F)(F)F)C1.CC(C)N1CCN(C(=O)CC(C)(C)C)CC1.CC(C)NC(=O)C1CCCN(C(C)C)C1.CCC(=O)N1CCN(C(C)C)CC1.CCCC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/2C13H26N2O.C12H20F3NO.2C12H24N2O.C12H23NO.C11H22N2O.C10H20N2O/c1-11(2)14-6-8-15(9-7-14)12(16)10-13(3,4)5;1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4;1-9(2)16-7-5-10(8-16)11(17)4-3-6-12(13,14)15;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-9(2)13-12(15)11-6-5-7-14(8-11)10(3)4;1-9(2)7-12(14)11-5-6-13(8-11)10(3)4;1-4-5-11(14)13-8-6-12(7-9-13)10(2)3;1-4-10(13)12-7-5-11(6-8-12)9(2)3/h11H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3;9-10H,3-8H2,1-2H3;10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3,(H,13,15);9-11H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3
InChIKeyOYFOYIANLASLGU-UHFFFAOYSA-N
MW1708.61 g/mol
LogP14.81
Rot. Bonds26

About 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one

3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one (PubChem CID 165046249) has the molecular formula C95H185F3N14O8 and a molecular weight of 1708.61 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one
PubChem CID165046249
Molecular FormulaC95H185F3N14O8
Molecular Weight1708.61 g/mol
Exact Mass1707.45
IUPAC Name3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one
SMILESCC(C)CC(=O)C1CCN(C(C)C)C1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CCC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCC(C(=O)CCCC(F)(F)F)C1.CC(C)N1CCN(C(=O)CC(C)(C)C)CC1.CC(C)NC(=O)C1CCCN(C(C)C)C1.CCC(=O)N1CCN(C(C)C)CC1.CCCC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/2C13H26N2O.C12H20F3NO.2C12H24N2O.C12H23NO.C11H22N2O.C10H20N2O/c1-11(2)14-6-8-15(9-7-14)12(16)10-13(3,4)5;1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4;1-9(2)16-7-5-10(8-16)11(17)4-3-6-12(13,14)15;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-9(2)13-12(15)11-6-5-7-14(8-11)10(3)4;1-9(2)7-12(14)11-5-6-13(8-11)10(3)4;1-4-5-11(14)13-8-6-12(7-9-13)10(2)3;1-4-10(13)12-7-5-11(6-8-12)9(2)3/h11H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3;9-10H,3-8H2,1-2H3;10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3,(H,13,15);9-11H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3
InChIKeyOYFOYIANLASLGU-UHFFFAOYSA-N
XLogP14.81
TPSA190.71 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms120
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.61
LogP ≤ 514.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one?
The IUPAC name of 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one (CID 165046249) is 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one?
The canonical SMILES for 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one is CC(C)CC(=O)C1CCN(C(C)C)C1.CC(C)CC(=O)N1CCN(C(C)C)CC1.CC(C)CCC(=O)N1CCN(C(C)C)CC1.CC(C)N1CCC(C(=O)CCCC(F)(F)F)C1.CC(C)N1CCN(C(=O)CC(C)(C)C)CC1.CC(C)NC(=O)C1CCCN(C(C)C)C1.CCC(=O)N1CCN(C(C)C)CC1.CCCC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one?
The InChIKey is OYFOYIANLASLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H26N2O.C12H20F3NO.2C12H24N2O.C12H23NO.C11H22N2O.C10H20N2O/c1-11(2)14-6-8-15(9-7-14)12(16)10-13(3,4)5;1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4;1-9(2)16-7-5-10(8-16)11(17)4-3-6-12(13,14)15;1-10(2)9-12(15)14-7-5-13(6-8-14)11(3)4;1-9(2)13-12(15)11-6-5-7-14(8-11)10(3)4;1-9(2)7-12(14)11-5-6-13(8-11)10(3)4;1-4-5-11(14)13-8-6-12(7-9-13)10(2)3;1-4-10(13)12-7-5-11(6-8-12)9(2)3/h11H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3;9-10H,3-8H2,1-2H3;10-11H,5-9H2,1-4H3;9-11H,5-8H2,1-4H3,(H,13,15);9-11H,5-8H2,1-4H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one?
3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one has a molecular weight of 1708.61 g/mol, XLogP of 14.81, 26 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;N,1-di(propan-2-yl)piperidine-3-carboxamide;3-methyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)butan-1-one;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;5,5,5-trifluoro-1-(1-propan-2-ylpyrrolidin-3-yl)pentan-1-one is sourced from PubChem (CID 165046249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).