N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide

C11H19N3O2 — CID 14876001

IUPACN-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN1CCN(C=O)CC1
InChIInChI=1S/C11H19N3O2/c1-10(2)11(16)12-3-4-13-5-7-14(9-15)8-6-13/h9H,1,3-8H2,2H3,(H,12,16)
InChIKeyFCMPRZYOEFYUED-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.55
Rot. Bonds5

About N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide

N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide (PubChem CID 14876001) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide
PubChem CID14876001
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCN1CCN(C=O)CC1
InChIInChI=1S/C11H19N3O2/c1-10(2)11(16)12-3-4-13-5-7-14(9-15)8-6-13/h9H,1,3-8H2,2H3,(H,12,16)
InChIKeyFCMPRZYOEFYUED-UHFFFAOYSA-N
XLogP-0.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 83121
CID 83121
CID 9855811
CID 9855811
CID 10313529
CID 10313529
CID 22096633
CID 22096633
CID 22256106
CID 22256106
CID 22610645
CID 22610645
CID 44153078
CID 44153078
CID 3097420
CID 3097420
CID 9796598
CID 9796598
CID 9841344
CID 9841344
CID 10330366
CID 10330366
CID 3016666
CID 3016666

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide (CID 14876001) is N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCN1CCN(C=O)CC1.
What is the InChIKey of N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide?
The InChIKey is FCMPRZYOEFYUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-10(2)11(16)12-3-4-13-5-7-14(9-15)8-6-13/h9H,1,3-8H2,2H3,(H,12,16).
What are the key properties of N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide?
N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide has a molecular weight of 225.29 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-formylpiperazin-1-yl)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 14876001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).