2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

C14H26N4O3 — CID 79736374

IUPAC2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCC(OCCCN)CC1
InChIInChI=1S/C14H26N4O3/c1-2-7-16-14(20)17-13(19)11-18-8-4-12(5-9-18)21-10-3-6-15/h2,12H,1,3-11,15H2,(H2,16,17,19,20)
InChIKeyYIWLJCVBRHYQMQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.17
Rot. Bonds8

About 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide

2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 79736374) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID79736374
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1CCC(OCCCN)CC1
InChIInChI=1S/C14H26N4O3/c1-2-7-16-14(20)17-13(19)11-18-8-4-12(5-9-18)21-10-3-6-15/h2,12H,1,3-11,15H2,(H2,16,17,19,20)
InChIKeyYIWLJCVBRHYQMQ-UHFFFAOYSA-N
XLogP-0.17
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide (CID 79736374) is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1CCC(OCCCN)CC1.
What is the InChIKey of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is YIWLJCVBRHYQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-2-7-16-14(20)17-13(19)11-18-8-4-12(5-9-18)21-10-3-6-15/h2,12H,1,3-11,15H2,(H2,16,17,19,20).
What are the key properties of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide?
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of -0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 79736374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).