2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide

C13H27N3O — CID 54967720

IUPAC2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCCN1CCCCC1
InChIInChI=1S/C13H27N3O/c1-3-11(2)12(14)13(17)15-7-10-16-8-5-4-6-9-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyKEQYWOFZUKXFKT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds6

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

2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide (PubChem CID 54967720) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
PubChem CID54967720
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
SMILESCCC(C)C(N)C(=O)NCCN1CCCCC1
InChIInChI=1S/C13H27N3O/c1-3-11(2)12(14)13(17)15-7-10-16-8-5-4-6-9-16/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyKEQYWOFZUKXFKT-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716
(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 155960645
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 67172232
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 115738343
(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide
CID 61173580
(2S,3S)-2-amino-3-methyl-N-[2-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)ethyl]pentanamide
CID 91971542
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methylbutanamide
CID 119901800
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide
CID 112686819
2-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
CID 65229412

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide (CID 54967720) is 2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide is CCC(C)C(N)C(=O)NCCN1CCCCC1.
What is the InChIKey of 2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide?
The InChIKey is KEQYWOFZUKXFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-11(2)12(14)13(17)15-7-10-16-8-5-4-6-9-16/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide?
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 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-(2-piperidin-1-ylethyl)pentanamide is sourced from PubChem (CID 54967720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).