1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide

C12H23N3O2 — CID 79024849

IUPAC1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCC[C@H](N)C(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O2/c1-4-10(13)12(17)15-7-5-9(6-8-15)11(16)14(2)3/h9-10H,4-8,13H2,1-3H3/t10-/m0/s1
InChIKeyNHTLUAOZCKXSGA-JTQLQIEISA-N
MW241.33 g/mol
LogP0.05
Rot. Bonds3

About 1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide

1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 79024849) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide
PubChem CID79024849
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide
SMILESCC[C@H](N)C(=O)N1CCC(C(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O2/c1-4-10(13)12(17)15-7-5-9(6-8-15)11(16)14(2)3/h9-10H,4-8,13H2,1-3H3/t10-/m0/s1
InChIKeyNHTLUAOZCKXSGA-JTQLQIEISA-N
XLogP0.05
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 93370949
4-amino-5-[4-(dimethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64887967
1-(2-amino-4-methoxybutanoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 62474132
1-[(2S)-2-amino-3-methylbutanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 61162789
(2S)-2-amino-1-(4-methylpiperidin-1-yl)butan-1-one
CID 79025031
1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 107471562
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 79025055
2-amino-1-(4-methoxypiperidin-1-yl)butan-1-one
CID 43649581
2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid
CID 79615163
N,N-dimethyl-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide
CID 79202506
1-butan-2-yl-N,N-dimethylpiperidine-4-carboxamide
CID 154662665
1-(4-acetylpiperazin-1-yl)-2-aminobutan-1-one
CID 60893476

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide (CID 79024849) is 1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide is CC[C@H](N)C(=O)N1CCC(C(=O)N(C)C)CC1.
What is the InChIKey of 1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is NHTLUAOZCKXSGA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-10(13)12(17)15-7-5-9(6-8-15)11(16)14(2)3/h9-10H,4-8,13H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide?
1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminobutanoyl]-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 79024849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).