2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide

C13H27N3O2 — CID 79327517

IUPAC2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H27N3O2/c1-3-13(18,4-2)10-15-12(17)9-16-7-5-11(14)6-8-16/h11,18H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyLHINXEVTBYTCOT-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.08
Rot. Bonds6

About 2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide

2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide (PubChem CID 79327517) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
PubChem CID79327517
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H27N3O2/c1-3-13(18,4-2)10-15-12(17)9-16-7-5-11(14)6-8-16/h11,18H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyLHINXEVTBYTCOT-UHFFFAOYSA-N
XLogP0.08
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430439
2-(4-aminopiperidin-1-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 79328199
2-(4-aminopiperidin-1-yl)-N-(3,3-dimethylbutyl)acetamide;hydrochloride
CID 119908436
2-(4-aminopiperidin-1-yl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 107220866
2-(4-aminopiperidin-1-yl)-N-tert-butylacetamide;dihydrochloride
CID 56773517
2-(4-aminopiperidin-1-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 112701547
2-(4-aminopiperidin-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 79327739
2-(4-aminopiperidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102905813
2-(4-aminopiperidin-1-yl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 79328337
ethyl 2-[[2-(3-aminopyrrolidin-1-yl)acetyl]amino]acetate
CID 112707932
2-(4-aminopiperidin-1-yl)-N-pentan-3-ylacetamide
CID 61486865
2-(4-aminopiperidin-1-yl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724240

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide (CID 79327517) is 2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide is CCC(O)(CC)CNC(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide?
The InChIKey is LHINXEVTBYTCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-13(18,4-2)10-15-12(17)9-16-7-5-11(14)6-8-16/h11,18H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide?
2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide is sourced from PubChem (CID 79327517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).