2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide

C12H25N3O — CID 63596067

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(C(C)N)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)14-12(16)8-15-6-4-11(5-7-15)10(3)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyXPIJFBWLNJRVDE-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds4

About 2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide

2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 63596067) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID63596067
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(C(C)N)CC1
InChIInChI=1S/C12H25N3O/c1-9(2)14-12(16)8-15-6-4-11(5-7-15)10(3)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyXPIJFBWLNJRVDE-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide;hydrochloride
CID 119920920
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 55261186
2-(4-hydroxypiperidin-1-yl)-N-propan-2-ylacetamide
CID 20770430
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
2-[4-(4-methoxybutan-2-yl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 175626378
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085
2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63595543
2-[4-(1-aminoethyl)piperidin-1-yl]-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119920519
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 115969322
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 63595188
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 63595882

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 63596067) is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(C(C)N)CC1.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is XPIJFBWLNJRVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)14-12(16)8-15-6-4-11(5-7-15)10(3)13/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide?
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 63596067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).