[(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone

C13H24N2O — CID 90327192

IUPAC[(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone
SMILESCN[C@@H]1C[C@H](C(=O)N2CCCCC2)C1(C)C
InChIInChI=1S/C13H24N2O/c1-13(2)10(9-11(13)14-3)12(16)15-7-5-4-6-8-15/h10-11,14H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyPWWBWRZFGKRUNP-GHMZBOCLSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds2

About [(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone

[(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone (PubChem CID 90327192) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is [(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone
PubChem CID90327192
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name[(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone
SMILESCN[C@@H]1C[C@H](C(=O)N2CCCCC2)C1(C)C
InChIInChI=1S/C13H24N2O/c1-13(2)10(9-11(13)14-3)12(16)15-7-5-4-6-8-15/h10-11,14H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyPWWBWRZFGKRUNP-GHMZBOCLSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-dimethyl-3-(methylamino)cyclobutyl]-pyrrolidin-1-ylmethanone
CID 90327212
1-[2,2-dimethyl-3-(pyrrolidine-1-carbonyl)cyclobutyl]ethanone
CID 12760010
[2-(azepane-1-carbonyl)cyclopropyl]-(azepan-1-yl)methanone
CID 109140675
[(2S)-2-fluorocyclopropyl]-piperidin-1-ylmethanone
CID 154357198
N-(2,2-dimethylcyclopropyl)piperidine-1-carboxamide
CID 115590465
(3-hydroxy-3-methylazetidin-1-yl)-[3-(methylamino)cyclobutyl]methanone
CID 164651387
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
1,2,2-trimethyl-3-(pyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 5268669
1-[(1R,3S)-2,2-dimethyl-3-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]piperidine-4-carboxylic acid
CID 141434196
[(2R)-2-fluorocyclopropyl]-pyrrolidin-1-ylmethanone
CID 139324368
azetidin-1-yl-(2-methyl-2-propan-2-ylcyclopropyl)methanone
CID 130718788
(3R)-1-(2,2-dimethylcyclopropanecarbonyl)piperidine-3-carboxylic acid
CID 107000484

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone?
The IUPAC name of [(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone (CID 90327192) is [(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone?
The canonical SMILES for [(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone is CN[C@@H]1C[C@H](C(=O)N2CCCCC2)C1(C)C.
What is the InChIKey of [(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone?
The InChIKey is PWWBWRZFGKRUNP-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H24N2O/c1-13(2)10(9-11(13)14-3)12(16)15-7-5-4-6-8-15/h10-11,14H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of [(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone?
[(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone has a molecular weight of 224.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-2,2-dimethyl-3-(methylamino)cyclobutyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 90327192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).