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

C13H25N3O2 — CID 78986673

IUPAC1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)CNC(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-13(2,3)15-9-11(17)16-8-6-5-7-10(16)12(18)14-4/h10,15H,5-9H2,1-4H3,(H,14,18)
InChIKeyYIXFVKFABJNURQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.50
Rot. Bonds3

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

1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide (PubChem CID 78986673) 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-2-carboxamide.

Molecular Properties

Compound Name1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
PubChem CID78986673
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)CNC(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-13(2,3)15-9-11(17)16-8-6-5-7-10(16)12(18)14-4/h10,15H,5-9H2,1-4H3,(H,14,18)
InChIKeyYIXFVKFABJNURQ-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66175944
2-methyl-4-[2-(methylcarbamoyl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid
CID 60948393
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-3-carboxamide
CID 113234306
(2S)-1-[3-(cyclopentanecarbonylamino)propanoyl]-N-methylpiperidine-2-carboxamide
CID 32599029
1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide
CID 79805407
1-(5-bromopentanoyl)-N-methylpiperidine-2-carboxamide
CID 107909408
(2S,3S)-2-[[(2S)-1-[2-(tert-butylamino)acetyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
CID 67058654

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide (CID 78986673) is 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)CNC(C)(C)C.
What is the InChIKey of 1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is YIXFVKFABJNURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,3)15-9-11(17)16-8-6-5-7-10(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-2-carboxamide?
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.50, 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-2-carboxamide is sourced from PubChem (CID 78986673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).