1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide

C12H23N3O2 — CID 79805407

IUPAC1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide
SMILESCCC(C)(N)C(=O)N1CCCCC1C(=O)NC
InChIInChI=1S/C12H23N3O2/c1-4-12(2,13)11(17)15-8-6-5-7-9(15)10(16)14-3/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyRGMMVEKOLURYEF-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.24
Rot. Bonds3

About 1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide

1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide (PubChem CID 79805407) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide
PubChem CID79805407
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide
SMILESCCC(C)(N)C(=O)N1CCCCC1C(=O)NC
InChIInChI=1S/C12H23N3O2/c1-4-12(2,13)11(17)15-8-6-5-7-9(15)10(16)14-3/h9H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyRGMMVEKOLURYEF-UHFFFAOYSA-N
XLogP0.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-methylbutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 79805766
1-(2,2-dimethyl-3-sulfanylpropanoyl)-N-methylpyrrolidine-2-carboxamide
CID 163963935
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
CID 78986673
1-(N'-hydroxycarbamimidoyl)-N-methylpiperidine-2-carboxamide
CID 76944384
1-(2-chloropropanoyl)-N-methylpiperidine-2-carboxamide
CID 60949285
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylbutan-1-one
CID 79810919
2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66175944
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
N-methyl-1-(2-sulfanylpropanoyl)piperidine-2-carboxamide
CID 107026107
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
CID 79013406
1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide (CID 79805407) is 1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide is CCC(C)(N)C(=O)N1CCCCC1C(=O)NC.
What is the InChIKey of 1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is RGMMVEKOLURYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-12(2,13)11(17)15-8-6-5-7-9(15)10(16)14-3/h9H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide?
1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-methylbutanoyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 79805407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).