5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide

C14H27N3O2 — CID 104685586

IUPAC5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
SMILESCC(CCCN)C(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-12(6-5-8-15)14(19)16-9-7-13(18)17-10-3-2-4-11-17/h12H,2-11,15H2,1H3,(H,16,19)
InChIKeyXNJYIETYWHWRAW-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.88
Rot. Bonds7

About 5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide

5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide (PubChem CID 104685586) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
PubChem CID104685586
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
SMILESCC(CCCN)C(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-12(6-5-8-15)14(19)16-9-7-13(18)17-10-3-2-4-11-17/h12H,2-11,15H2,1H3,(H,16,19)
InChIKeyXNJYIETYWHWRAW-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 80543621
5-amino-2-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 104684890
4-amino-N-(3-oxo-3-piperidin-1-ylpropyl)butanamide
CID 70095936
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
5-amino-2-methyl-N-piperidin-1-ylpentanamide
CID 104685518
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 113263956
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 115738343
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2S)-3-methylbutan-2-yl]urea
CID 94820370
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336
2-(2-aminoethylamino)-1-piperidin-1-ylethanone
CID 62140335

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide?
The IUPAC name of 5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide (CID 104685586) is 5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide is CC(CCCN)C(=O)NCCC(=O)N1CCCCC1.
What is the InChIKey of 5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide?
The InChIKey is XNJYIETYWHWRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(6-5-8-15)14(19)16-9-7-13(18)17-10-3-2-4-11-17/h12H,2-11,15H2,1H3,(H,16,19).
What are the key properties of 5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide?
5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide has a molecular weight of 269.39 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide is sourced from PubChem (CID 104685586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).