2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one

C18H28N2O — CID 60988265

IUPAC2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCC(C)(C)c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C18H28N2O/c1-15(17(21)20-12-8-5-9-13-20)19-14-18(2,3)16-10-6-4-7-11-16/h4,6-7,10-11,15,19H,5,8-9,12-14H2,1-3H3
InChIKeySGYZRTIOSYDAKY-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.95
Rot. Bonds5

About 2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one

2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 60988265) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID60988265
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCC(C)(C)c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C18H28N2O/c1-15(17(21)20-12-8-5-9-13-20)19-14-18(2,3)16-10-6-4-7-11-16/h4,6-7,10-11,15,19H,5,8-9,12-14H2,1-3H3
InChIKeySGYZRTIOSYDAKY-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-N-phenylacetamide
CID 115588967
2-methyl-1-(2-methyl-2-phenylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111947976
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114149934
1-(azepan-1-yl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]propan-1-one
CID 106176934
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 66395436
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
CID 103912755
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114163658
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide
CID 63859159

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one (CID 60988265) is 2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one is CC(NCC(C)(C)c1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is SGYZRTIOSYDAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(17(21)20-12-8-5-9-13-20)19-14-18(2,3)16-10-6-4-7-11-16/h4,6-7,10-11,15,19H,5,8-9,12-14H2,1-3H3.
What are the key properties of 2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one?
2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 288.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60988265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).