2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide

C13H25N3O — CID 63845041

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCC(N)C1CCCN(CC(=O)NCC2CC2)C1
InChIInChI=1S/C13H25N3O/c1-10(14)12-3-2-6-16(8-12)9-13(17)15-7-11-4-5-11/h10-12H,2-9,14H2,1H3,(H,15,17)
InChIKeyCVHYDVRJHQMMIE-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.57
Rot. Bonds5

About 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide (PubChem CID 63845041) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
PubChem CID63845041
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
SMILESCC(N)C1CCCN(CC(=O)NCC2CC2)C1
InChIInChI=1S/C13H25N3O/c1-10(14)12-3-2-6-16(8-12)9-13(17)15-7-11-4-5-11/h10-12H,2-9,14H2,1H3,(H,15,17)
InChIKeyCVHYDVRJHQMMIE-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
CID 63846958
N-(cyclopropylmethyl)-2-[3-[1-(propylamino)ethyl]piperidin-1-yl]acetamide
CID 63853778
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanoethyl)acetamide
CID 63847341
2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
CID 119925682
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
CID 119925446
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119925640
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
CID 119925750
2-[(3R)-3-(azepan-1-yl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 97080531
2-(3-acetamidopiperidin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 75461490
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 119925484

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide (CID 63845041) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide is CC(N)C1CCCN(CC(=O)NCC2CC2)C1.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
The InChIKey is CVHYDVRJHQMMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(14)12-3-2-6-16(8-12)9-13(17)15-7-11-4-5-11/h10-12H,2-9,14H2,1H3,(H,15,17).
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 63845041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).