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

C13H21N5O — CID 63254876

IUPAC2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide
SMILESCC(N)C1CCCCN1CC(=O)Nc1ncccn1
InChIInChI=1S/C13H21N5O/c1-10(14)11-5-2-3-8-18(11)9-12(19)17-13-15-6-4-7-16-13/h4,6-7,10-11H,2-3,5,8-9,14H2,1H3,(H,15,16,17,19)
InChIKeyWRSOPVHAWAHGBD-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.62
Rot. Bonds4

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

2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide (PubChem CID 63254876) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide
PubChem CID63254876
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide
SMILESCC(N)C1CCCCN1CC(=O)Nc1ncccn1
InChIInChI=1S/C13H21N5O/c1-10(14)11-5-2-3-8-18(11)9-12(19)17-13-15-6-4-7-16-13/h4,6-7,10-11H,2-3,5,8-9,14H2,1H3,(H,15,16,17,19)
InChIKeyWRSOPVHAWAHGBD-UHFFFAOYSA-N
XLogP0.62
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63255722
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-(3,4-dimethylphenyl)acetamide
CID 63255589
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119911982
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2,4-dimethylphenyl)acetamide
CID 63255724
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 63255628
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-bromo-4-methylphenyl)acetamide
CID 63255859
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119911565
2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide
CID 63255648
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide (CID 63254876) is 2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide is CC(N)C1CCCCN1CC(=O)Nc1ncccn1.
What is the InChIKey of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide?
The InChIKey is WRSOPVHAWAHGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10(14)11-5-2-3-8-18(11)9-12(19)17-13-15-6-4-7-16-13/h4,6-7,10-11H,2-3,5,8-9,14H2,1H3,(H,15,16,17,19).
What are the key properties of 2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide?
2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide has a molecular weight of 263.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)piperidin-1-yl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 63254876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).