2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

C13H24N4O2 — CID 63595189

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCC(C(C)N)CC1
InChIInChI=1S/C13H24N4O2/c1-3-6-15-13(19)16-12(18)9-17-7-4-11(5-8-17)10(2)14/h3,10-11H,1,4-9,14H2,2H3,(H2,15,16,18,19)
InChIKeyMFYVVUQBSAGBJM-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.06
Rot. Bonds5

About 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 63595189) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID63595189
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCC(C(C)N)CC1
InChIInChI=1S/C13H24N4O2/c1-3-6-15-13(19)16-12(18)9-17-7-4-11(5-8-17)10(2)14/h3,10-11H,1,4-9,14H2,2H3,(H2,15,16,18,19)
InChIKeyMFYVVUQBSAGBJM-UHFFFAOYSA-N
XLogP0.06
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (CID 63595189) is 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1CCC(C(C)N)CC1.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is MFYVVUQBSAGBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-3-6-15-13(19)16-12(18)9-17-7-4-11(5-8-17)10(2)14/h3,10-11H,1,4-9,14H2,2H3,(H2,15,16,18,19).
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 63595189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).