1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide

C12H23N3O2 — CID 113416223

IUPAC1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide
SMILESCC(N)C(C)C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C12H23N3O2/c1-7-4-5-10(11(14)16)6-15(7)12(17)8(2)9(3)13/h7-10H,4-6,13H2,1-3H3,(H2,14,16)
InChIKeyOCVKFGRJILIXRP-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.08
Rot. Bonds3

About 1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide

1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide (PubChem CID 113416223) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide
PubChem CID113416223
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide
SMILESCC(N)C(C)C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C12H23N3O2/c1-7-4-5-10(11(14)16)6-15(7)12(17)8(2)9(3)13/h7-10H,4-6,13H2,1-3H3,(H2,14,16)
InChIKeyOCVKFGRJILIXRP-UHFFFAOYSA-N
XLogP0.08
TPSA89.42 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 ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897663
(3R,6R)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598327
(3R,6S)-1-[(2S,3S)-3-amino-2-methyl-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 124598329
1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide
CID 61173936
1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide
CID 62727603
1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 62474841
1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 78984554
1-[2-(N'-hydroxycarbamimidoyl)butanoyl]-6-methylpiperidine-3-carboxamide
CID 76925260
ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
CID 61067923
1-(3-ethyl-2-methylpentanoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112693
1-(4-hydroxybutanoyl)-6-methylpiperidine-3-carboxamide
CID 79201154
1-(2-amino-3-methylcyclohexanecarbonyl)-6-methylpiperidine-3-carboxamide
CID 62783233

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide (CID 113416223) is 1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide is CC(N)C(C)C(=O)N1CC(C(N)=O)CCC1C.
What is the InChIKey of 1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is OCVKFGRJILIXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-7-4-5-10(11(14)16)6-15(7)12(17)8(2)9(3)13/h7-10H,4-6,13H2,1-3H3,(H2,14,16).
What are the key properties of 1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide?
1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 113416223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).