1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide

C12H23N3O3 — CID 62474841

IUPAC1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide
SMILESCOCCC(N)C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C12H23N3O3/c1-8-3-4-9(11(14)16)7-15(8)12(17)10(13)5-6-18-2/h8-10H,3-7,13H2,1-2H3,(H2,14,16)
InChIKeyAONQLWJUJQWFLX-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.54
Rot. Bonds5

About 1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide

1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide (PubChem CID 62474841) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide
PubChem CID62474841
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide
SMILESCOCCC(N)C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C12H23N3O3/c1-8-3-4-9(11(14)16)7-15(8)12(17)10(13)5-6-18-2/h8-10H,3-7,13H2,1-2H3,(H2,14,16)
InChIKeyAONQLWJUJQWFLX-UHFFFAOYSA-N
XLogP-0.54
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
1-[(2S)-2-amino-3-methylpentanoyl]-6-methylpiperidine-3-carboxamide
CID 61173936
1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
CID 62473351
1-(3-amino-2-methylbutanoyl)-6-methylpiperidine-3-carboxamide
CID 113416223
1-[(2R)-2-amino-3-phenylpropanoyl]-6-methylpiperidine-3-carboxamide
CID 78984554
2-amino-1-(5-ethyl-2-methylpiperidin-1-yl)-5-methoxypentan-1-one
CID 112734411
1-(3-chloro-2-methylpropanoyl)-6-methylpiperidine-3-carboxamide
CID 62727603
3-(5-carbamoyl-2-methylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897663
ethyl 5-carbamoyl-2-methylpiperidine-1-carboxylate
CID 61067923
2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-1-one
CID 62472697
2-amino-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methoxybutan-1-one
CID 107217915
1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
CID 81081411

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide (CID 62474841) is 1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide is COCCC(N)C(=O)N1CC(C(N)=O)CCC1C.
What is the InChIKey of 1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is AONQLWJUJQWFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-8-3-4-9(11(14)16)7-15(8)12(17)10(13)5-6-18-2/h8-10H,3-7,13H2,1-2H3,(H2,14,16).
What are the key properties of 1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide?
1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxybutanoyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 62474841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).