1-tert-butyl-5-(methylamino)piperidin-2-one

C10H20N2O — CID 83696926

IUPAC1-tert-butyl-5-(methylamino)piperidin-2-one
SMILESCNC1CCC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-7-8(11-4)5-6-9(12)13/h8,11H,5-7H2,1-4H3
InChIKeyJCCCHJODNGTOQO-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.00
Rot. Bonds1

About 1-tert-butyl-5-(methylamino)piperidin-2-one

1-tert-butyl-5-(methylamino)piperidin-2-one (PubChem CID 83696926) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-tert-butyl-5-(methylamino)piperidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-5-(methylamino)piperidin-2-one
PubChem CID83696926
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-tert-butyl-5-(methylamino)piperidin-2-one
SMILESCNC1CCC(=O)N(C(C)(C)C)C1
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-7-8(11-4)5-6-9(12)13/h8,11H,5-7H2,1-4H3
InChIKeyJCCCHJODNGTOQO-UHFFFAOYSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-1-tert-butylazepan-2-one
CID 84659748
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
CID 83632195
1-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-cyclohexylurea
CID 110749319
(3R)-1-tert-butyl-3-(methylamino)pyrrolidin-2-one
CID 94236113
1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(cyclopropylmethylamino)acetamide
CID 119818280
1-tert-butyl-4-[(6-chloropyrazin-2-yl)amino]pyrrolidin-2-one
CID 133342299
5-[(2-tert-butylcyclohexyl)amino]-1-methylpiperidin-2-one
CID 64655706
(4R)-1-tert-butyl-4-[[(2R)-1-(oxan-4-yl)propan-2-yl]amino]pyrrolidin-2-one
CID 97102129
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119343394
(2S,4S)-N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-methylpiperidine-4-carboxamide
CID 120638106
(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(methylamino)piperidin-2-one?
The IUPAC name of 1-tert-butyl-5-(methylamino)piperidin-2-one (CID 83696926) is 1-tert-butyl-5-(methylamino)piperidin-2-one.
What is the SMILES notation for 1-tert-butyl-5-(methylamino)piperidin-2-one?
The canonical SMILES for 1-tert-butyl-5-(methylamino)piperidin-2-one is CNC1CCC(=O)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-5-(methylamino)piperidin-2-one?
The InChIKey is JCCCHJODNGTOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)12-7-8(11-4)5-6-9(12)13/h8,11H,5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-5-(methylamino)piperidin-2-one?
1-tert-butyl-5-(methylamino)piperidin-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(methylamino)piperidin-2-one is sourced from PubChem (CID 83696926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).