1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide

C12H23N3O3 — CID 81081411

IUPAC1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
SMILESCOCCCC(N)C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C12H23N3O3/c1-18-7-3-5-10(13)12(17)15-6-2-4-9(8-15)11(14)16/h9-10H,2-8,13H2,1H3,(H2,14,16)
InChIKeyJFHBBYVFQQVWMA-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.54
Rot. Bonds6

About 1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide

1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide (PubChem CID 81081411) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
PubChem CID81081411
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide
SMILESCOCCCC(N)C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C12H23N3O3/c1-18-7-3-5-10(13)12(17)15-6-2-4-9(8-15)11(14)16/h9-10H,2-8,13H2,1H3,(H2,14,16)
InChIKeyJFHBBYVFQQVWMA-UHFFFAOYSA-N
XLogP-0.54
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-3-methoxypropanoyl)piperidine-3-carboxamide
CID 81081318
1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid
CID 62475203
2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methoxypentan-1-one
CID 81088340
2-amino-5-methoxy-1-(4-methylazepan-1-yl)pentan-1-one
CID 81089424
2-amino-5-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 81089522
1-(4-acetylpiperazin-1-yl)-2-amino-5-methoxypentan-1-one
CID 81082869
2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 114797556
1-[2-(2-methoxyethylamino)acetyl]piperidine-3-carboxamide
CID 78913900
2-amino-1-(4-tert-butylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81089188
2-amino-5-methoxy-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 81081223
N-[1-(2-amino-5-methoxypentanoyl)pyrrolidin-3-yl]acetamide
CID 113402267
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-5-methoxypentan-1-one
CID 81089538

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide (CID 81081411) is 1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide is COCCCC(N)C(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide?
The InChIKey is JFHBBYVFQQVWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-18-7-3-5-10(13)12(17)15-6-2-4-9(8-15)11(14)16/h9-10H,2-8,13H2,1H3,(H2,14,16).
What are the key properties of 1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide?
1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methoxypentanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 81081411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).