2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one

C100H162F4N16O3 — CID 159802760

IUPAC2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
SMILESCC(C)C1CCCN(C(=O)C(C)(C)C#N)C1.CC(C)C1CCCN(C(=O)CC#N)C1.CC(C)C1CCN(C(C)CC#N)CC1.CC(C)C1CCN(Cc2cccc(C#N)n2)CC1.CC(C)C1CCN(Cc2cncc(C#N)c2)CC1.CC(C)C1CCN(Cc2cncc(F)c2)CC1.CC(C)C1CCNCC1C.CC(C)[C@@H]1CCCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/2C15H21N3.C14H21FN2.C13H22N2O.C12H22N2.C11H18F3NO.C11H18N2O.C9H19N/c1-12(2)15-3-5-18(6-4-15)11-14-7-13(8-16)9-17-10-14;1-12(2)13-6-8-18(9-7-13)11-15-5-3-4-14(10-16)17-15;1-11(2)13-3-5-17(6-4-13)10-12-7-14(15)9-16-8-12;1-10(2)11-6-5-7-15(8-11)12(16)13(3,4)9-14;1-10(2)12-5-8-14(9-6-12)11(3)4-7-13;1-8(2)9-4-3-5-15(7-9)10(16)6-11(12,13)14;1-9(2)10-4-3-7-13(8-10)11(14)5-6-12;1-7(2)9-4-5-10-6-8(9)3/h7,9-10,12,15H,3-6,11H2,1-2H3;3-5,12-13H,6-9,11H2,1-2H3;7-9,11,13H,3-6,10H2,1-2H3;10-11H,5-8H2,1-4H3;10-12H,4-6,8-9H2,1-3H3;8-9H,3-7H2,1-2H3;9-10H,3-5,7-8H2,1-2H3;7-10H,4-6H2,1-3H3/t;;;;;9-;;/m.....1../s1
InChIKeyNJZUQARJLSTNHL-RQPQOQCBSA-N
MW1712.50 g/mol
LogP20.33
Rot. Bonds19

About 2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one

2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one (PubChem CID 159802760) has the molecular formula C100H162F4N16O3 and a molecular weight of 1712.50 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
PubChem CID159802760
Molecular FormulaC100H162F4N16O3
Molecular Weight1712.50 g/mol
Exact Mass1711.30
IUPAC Name2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
SMILESCC(C)C1CCCN(C(=O)C(C)(C)C#N)C1.CC(C)C1CCCN(C(=O)CC#N)C1.CC(C)C1CCN(C(C)CC#N)CC1.CC(C)C1CCN(Cc2cccc(C#N)n2)CC1.CC(C)C1CCN(Cc2cncc(C#N)c2)CC1.CC(C)C1CCN(Cc2cncc(F)c2)CC1.CC(C)C1CCNCC1C.CC(C)[C@@H]1CCCN(C(=O)CC(F)(F)F)C1
InChIInChI=1S/2C15H21N3.C14H21FN2.C13H22N2O.C12H22N2.C11H18F3NO.C11H18N2O.C9H19N/c1-12(2)15-3-5-18(6-4-15)11-14-7-13(8-16)9-17-10-14;1-12(2)13-6-8-18(9-7-13)11-15-5-3-4-14(10-16)17-15;1-11(2)13-3-5-17(6-4-13)10-12-7-14(15)9-16-8-12;1-10(2)11-6-5-7-15(8-11)12(16)13(3,4)9-14;1-10(2)12-5-8-14(9-6-12)11(3)4-7-13;1-8(2)9-4-3-5-15(7-9)10(16)6-11(12,13)14;1-9(2)10-4-3-7-13(8-10)11(14)5-6-12;1-7(2)9-4-5-10-6-8(9)3/h7,9-10,12,15H,3-6,11H2,1-2H3;3-5,12-13H,6-9,11H2,1-2H3;7-9,11,13H,3-6,10H2,1-2H3;10-11H,5-8H2,1-4H3;10-12H,4-6,8-9H2,1-3H3;8-9H,3-7H2,1-2H3;9-10H,3-5,7-8H2,1-2H3;7-10H,4-6H2,1-3H3/t;;;;;9-;;/m.....1../s1
InChIKeyNJZUQARJLSTNHL-RQPQOQCBSA-N
XLogP20.33
TPSA243.54 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001712.50
LogP ≤ 520.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one (CID 159802760) is 2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one is CC(C)C1CCCN(C(=O)C(C)(C)C#N)C1.CC(C)C1CCCN(C(=O)CC#N)C1.CC(C)C1CCN(C(C)CC#N)CC1.CC(C)C1CCN(Cc2cccc(C#N)n2)CC1.CC(C)C1CCN(Cc2cncc(C#N)c2)CC1.CC(C)C1CCN(Cc2cncc(F)c2)CC1.CC(C)C1CCNCC1C.CC(C)[C@@H]1CCCN(C(=O)CC(F)(F)F)C1.
What is the InChIKey of 2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one?
The InChIKey is NJZUQARJLSTNHL-RQPQOQCBSA-N. The full InChI is InChI=1S/2C15H21N3.C14H21FN2.C13H22N2O.C12H22N2.C11H18F3NO.C11H18N2O.C9H19N/c1-12(2)15-3-5-18(6-4-15)11-14-7-13(8-16)9-17-10-14;1-12(2)13-6-8-18(9-7-13)11-15-5-3-4-14(10-16)17-15;1-11(2)13-3-5-17(6-4-13)10-12-7-14(15)9-16-8-12;1-10(2)11-6-5-7-15(8-11)12(16)13(3,4)9-14;1-10(2)12-5-8-14(9-6-12)11(3)4-7-13;1-8(2)9-4-3-5-15(7-9)10(16)6-11(12,13)14;1-9(2)10-4-3-7-13(8-10)11(14)5-6-12;1-7(2)9-4-5-10-6-8(9)3/h7,9-10,12,15H,3-6,11H2,1-2H3;3-5,12-13H,6-9,11H2,1-2H3;7-9,11,13H,3-6,10H2,1-2H3;10-11H,5-8H2,1-4H3;10-12H,4-6,8-9H2,1-3H3;8-9H,3-7H2,1-2H3;9-10H,3-5,7-8H2,1-2H3;7-10H,4-6H2,1-3H3/t;;;;;9-;;/m.....1../s1.
What are the key properties of 2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one?
2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one has a molecular weight of 1712.50 g/mol, XLogP of 20.33, 19 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-fluoro-5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine;3-methyl-4-propan-2-ylpiperidine;3-oxo-3-[(3S)-3-propan-2-ylpiperidin-1-yl]propanenitrile;3-(4-propan-2-ylpiperidin-1-yl)butanenitrile;5-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-3-carbonitrile;6-[(4-propan-2-ylpiperidin-1-yl)methyl]pyridine-2-carbonitrile;3,3,3-trifluoro-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 159802760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).