2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide

C13H27N3O — CID 63255648

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)CN1CCCCC1C(C)N
InChIInChI=1S/C13H27N3O/c1-3-4-8-15-13(17)10-16-9-6-5-7-12(16)11(2)14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyGDEINLWJHIXOFR-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds6

About 2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide

2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide (PubChem CID 63255648) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide
PubChem CID63255648
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide
SMILESCCCCNC(=O)CN1CCCCC1C(C)N
InChIInChI=1S/C13H27N3O/c1-3-4-8-15-13(17)10-16-9-6-5-7-12(16)11(2)14/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyGDEINLWJHIXOFR-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 63256081
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propylacetamide
CID 111107007
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
CID 63255860
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119911198
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119911978
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119911588
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 55168013
N-(2-methylpropyl)-2-[2-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
CID 63854873
2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide
CID 63254876
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 63255589
propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255309
N-butyl-2-pyrrolidin-1-ylacetamide
CID 110687965

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide (CID 63255648) is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide is CCCCNC(=O)CN1CCCCC1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide?
The InChIKey is GDEINLWJHIXOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-4-8-15-13(17)10-16-9-6-5-7-12(16)11(2)14/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide?
2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide is sourced from PubChem (CID 63255648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).