1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone

C17H32N2O — CID 83997130

IUPAC1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(CC(C)(C)C)CC(NCC2CCC2)C1
InChIInChI=1S/C17H32N2O/c1-13(20)19-11-15(9-17(2,3)4)8-16(12-19)18-10-14-6-5-7-14/h14-16,18H,5-12H2,1-4H3
InChIKeyRTRFGCUWSBJXGN-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds4

About 1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone

1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone (PubChem CID 83997130) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
PubChem CID83997130
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC(CC(C)(C)C)CC(NCC2CCC2)C1
InChIInChI=1S/C17H32N2O/c1-13(20)19-11-15(9-17(2,3)4)8-16(12-19)18-10-14-6-5-7-14/h14-16,18H,5-12H2,1-4H3
InChIKeyRTRFGCUWSBJXGN-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 83997104
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989732
1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
1-[3-(cyclopropylmethylamino)-5-(2-hydroxy-3-methylbutyl)piperidin-1-yl]ethanone
CID 83996453
1-[3-(2-cyclopropyl-2-hydroxyethyl)-5-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 83996454
N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83997744
3-(cyclobutylmethylamino)-5-propylpiperidine-1-carboxamide
CID 83997100
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401
methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
CID 83999844

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone (CID 83997130) is 1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone is CC(=O)N1CC(CC(C)(C)C)CC(NCC2CCC2)C1.
What is the InChIKey of 1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone?
The InChIKey is RTRFGCUWSBJXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(20)19-11-15(9-17(2,3)4)8-16(12-19)18-10-14-6-5-7-14/h14-16,18H,5-12H2,1-4H3.
What are the key properties of 1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone?
1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone has a molecular weight of 280.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 83997130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).