1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide

C13H25N3O2 — CID 113234306

IUPAC1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)15-8-11(17)16-7-5-6-10(9-16)12(18)14-4/h10,15H,5-9H2,1-4H3,(H,14,18)
InChIKeyNVBKWQORVXGMSD-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.36
Rot. Bonds3

About 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide

1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide (PubChem CID 113234306) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
PubChem CID113234306
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C13H25N3O2/c1-13(2,3)15-8-11(17)16-7-5-6-10(9-16)12(18)14-4/h10,15H,5-9H2,1-4H3,(H,14,18)
InChIKeyNVBKWQORVXGMSD-UHFFFAOYSA-N
XLogP0.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
CID 79257373
1-[2-(cyclopropylmethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113266805
N-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-3-carboxamide
CID 103944365
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-[2-(2-methoxyethylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 103811077
1-(4-aminopentanoyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 120562628
N-methyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]piperidine-3-carboxamide
CID 103195278
1-[3-(aminomethyl)pentanoyl]-N-methylpiperidine-3-carboxamide
CID 103195301
2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
CID 103197217
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
CID 78986673
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(tert-butylamino)ethanone
CID 113220942

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide (CID 113234306) is 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)CNC(C)(C)C)C1.
What is the InChIKey of 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is NVBKWQORVXGMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,3)15-8-11(17)16-7-5-6-10(9-16)12(18)14-4/h10,15H,5-9H2,1-4H3,(H,14,18).
What are the key properties of 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide?
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 113234306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).