N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide

C13H27N3O2 — CID 140644022

IUPACN-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCOC1CCNCC1N
InChIInChI=1S/C13H27N3O2/c1-13(2,3)8-12(17)16-6-7-18-11-4-5-15-9-10(11)14/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)
InChIKeyFXQXYODUANHZOA-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.24
Rot. Bonds5

About N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide

N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide (PubChem CID 140644022) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide
PubChem CID140644022
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCOC1CCNCC1N
InChIInChI=1S/C13H27N3O2/c1-13(2,3)8-12(17)16-6-7-18-11-4-5-15-9-10(11)14/h10-11,15H,4-9,14H2,1-3H3,(H,16,17)
InChIKeyFXQXYODUANHZOA-UHFFFAOYSA-N
XLogP0.24
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 46798170
3,3-dimethyl-N-[(2S)-2-methyl-2-morpholin-4-ylbutyl]butanamide
CID 93614217
N-(1-morpholin-4-ylpropan-2-yl)cyclobutanecarboxamide
CID 45893477
3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 4629541
2,2-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 4629542
3,3-dimethyl-N-[1-(2-morpholin-4-ylethylamino)-1-oxopentan-2-yl]butanamide
CID 16722867
(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 22690996
(2S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 24279172
2-amino-4-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 24704250
(2R,3R)-2-amino-3-methyl-N-(2-morpholinoethyl)-pentanamide
CID 28174760

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide (CID 140644022) is N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCOC1CCNCC1N.
What is the InChIKey of N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide?
The InChIKey is FXQXYODUANHZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,3)8-12(17)16-6-7-18-11-4-5-15-9-10(11)14/h10-11,15H,4-9,14H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide?
N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopiperidin-4-yl)oxyethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 140644022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).