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

C14H27N3O2 — CID 115738343

IUPAC2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-3-11(2)13(15)14(19)16-8-7-12(18)17-9-5-4-6-10-17/h11,13H,3-10,15H2,1-2H3,(H,16,19)
InChIKeyZECZAZFGQWMGMZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.88
Rot. Bonds6

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

2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide (PubChem CID 115738343) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
PubChem CID115738343
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCCC(=O)N1CCCCC1
InChIInChI=1S/C14H27N3O2/c1-3-11(2)13(15)14(19)16-8-7-12(18)17-9-5-4-6-10-17/h11,13H,3-10,15H2,1-2H3,(H,16,19)
InChIKeyZECZAZFGQWMGMZ-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 113263956
2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide
CID 61173580
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 104685586
(2S)-2-amino-N-[2-(azepan-1-yl)-2-oxoethyl]-3-methylbutanamide
CID 82959424
2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide
CID 61248901
4-amino-2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 80543621
(2S)-2-amino-3-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]butanamide
CID 119849548
(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-cyclopentyloxybutanamide
CID 97095327

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide (CID 115738343) is 2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide is CCC(C)C(N)C(=O)NCCC(=O)N1CCCCC1.
What is the InChIKey of 2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide?
The InChIKey is ZECZAZFGQWMGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-11(2)13(15)14(19)16-8-7-12(18)17-9-5-4-6-10-17/h11,13H,3-10,15H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide?
2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide has a molecular weight of 269.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide is sourced from PubChem (CID 115738343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).