2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one

C15H30N2O — CID 83995807

IUPAC2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)CCNC1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C15H30N2O/c1-12(2)8-9-16-13-7-6-10-17(11-13)14(18)15(3,4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyAUURSNCVYGTSTF-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.66
Rot. Bonds4

About 2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one (PubChem CID 83995807) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one
PubChem CID83995807
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)CCNC1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C15H30N2O/c1-12(2)8-9-16-13-7-6-10-17(11-13)14(18)15(3,4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyAUURSNCVYGTSTF-UHFFFAOYSA-N
XLogP2.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
2,2,4-trimethyl-1-[3-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119489879
2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776
2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666
1-[(3S)-3-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 107224185
2,2-dimethyl-1-[(3R)-3-[(2-methylpropan-2-yl)oxymethylamino]pyrrolidin-1-yl]propan-1-one
CID 170194550
3,3,3-trifluoro-1-[3-(propylamino)piperidin-1-yl]-2-(trifluoromethyl)propan-1-one
CID 103308959
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
1-cyclohexyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995937
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 42458121
2-methyl-1-[(3S)-3-[[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]amino]piperidin-1-yl]propan-1-one
CID 71047048

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one (CID 83995807) is 2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one is CC(C)CCNC1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one?
The InChIKey is AUURSNCVYGTSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)8-9-16-13-7-6-10-17(11-13)14(18)15(3,4)5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[3-(3-methylbutylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 83995807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).