2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide

C15H31N3O — CID 63848310

IUPAC2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C15H31N3O/c1-6-17(5)14(19)12-18-9-7-8-13(11-18)10-16-15(2,3)4/h13,16H,6-12H2,1-5H3
InChIKeySTMXQRKMNAGHIX-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.56
Rot. Bonds5

About 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide

2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 63848310) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
PubChem CID63848310
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CCCC(CNC(C)(C)C)C1
InChIInChI=1S/C15H31N3O/c1-6-17(5)14(19)12-18-9-7-8-13(11-18)10-16-15(2,3)4/h13,16H,6-12H2,1-5H3
InChIKeySTMXQRKMNAGHIX-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 55256274
2-[1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83198082
N-[(1-hexylpiperidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62593600
N-[[1-[3-(dimethylamino)propyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 114525593
2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63848836
N-ethyl-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62655686
N-cyclohexyl-N-ethyl-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914794
N-cyclopentyl-N-cyclopropyl-2-(3-ethylpiperidin-1-yl)acetamide
CID 78897689
4-[(3S)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]benzoic acid
CID 97210621
N-[[1-(cyclopropylmethoxymethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 106931141
N-[[1-[2-[ethyl(methyl)amino]ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62641948
N-[[1-(2-butoxyethyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 55220646

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide (CID 63848310) is 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN1CCCC(CNC(C)(C)C)C1.
What is the InChIKey of 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is STMXQRKMNAGHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-17(5)14(19)12-18-9-7-8-13(11-18)10-16-15(2,3)4/h13,16H,6-12H2,1-5H3.
What are the key properties of 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide?
2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 63848310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).