N-(1-piperazin-1-ylethyl)prop-2-enamide

C9H17N3O — CID 66781666

IUPACN-(1-piperazin-1-ylethyl)prop-2-enamide
SMILESC=CC(=O)NC(C)N1CCNCC1
InChIInChI=1S/C9H17N3O/c1-3-9(13)11-8(2)12-6-4-10-5-7-12/h3,8,10H,1,4-7H2,2H3,(H,11,13)
InChIKeyYTOZYBWSZXNUKZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.46
Rot. Bonds3

About N-(1-piperazin-1-ylethyl)prop-2-enamide

N-(1-piperazin-1-ylethyl)prop-2-enamide (PubChem CID 66781666) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1-piperazin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-piperazin-1-ylethyl)prop-2-enamide
PubChem CID66781666
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(1-piperazin-1-ylethyl)prop-2-enamide
SMILESC=CC(=O)NC(C)N1CCNCC1
InChIInChI=1S/C9H17N3O/c1-3-9(13)11-8(2)12-6-4-10-5-7-12/h3,8,10H,1,4-7H2,2H3,(H,11,13)
InChIKeyYTOZYBWSZXNUKZ-UHFFFAOYSA-N
XLogP-0.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-piperazin-1-ylethyl)prop-2-enamide?
The IUPAC name of N-(1-piperazin-1-ylethyl)prop-2-enamide (CID 66781666) is N-(1-piperazin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for N-(1-piperazin-1-ylethyl)prop-2-enamide?
The canonical SMILES for N-(1-piperazin-1-ylethyl)prop-2-enamide is C=CC(=O)NC(C)N1CCNCC1.
What is the InChIKey of N-(1-piperazin-1-ylethyl)prop-2-enamide?
The InChIKey is YTOZYBWSZXNUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-9(13)11-8(2)12-6-4-10-5-7-12/h3,8,10H,1,4-7H2,2H3,(H,11,13).
What are the key properties of N-(1-piperazin-1-ylethyl)prop-2-enamide?
N-(1-piperazin-1-ylethyl)prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperazin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 66781666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).