N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide

C13H25N3O2 — CID 119447035

IUPACN-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide
SMILESC=CCOCCCC(=O)NCCN1CCNCC1
InChIInChI=1S/C13H25N3O2/c1-2-11-18-12-3-4-13(17)15-7-10-16-8-5-14-6-9-16/h2,14H,1,3-12H2,(H,15,17)
InChIKeyMLZUXPWXTTXEGR-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.01
Rot. Bonds9

About N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide

N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide (PubChem CID 119447035) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide
PubChem CID119447035
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide
SMILESC=CCOCCCC(=O)NCCN1CCNCC1
InChIInChI=1S/C13H25N3O2/c1-2-11-18-12-3-4-13(17)15-7-10-16-8-5-14-6-9-16/h2,14H,1,3-12H2,(H,15,17)
InChIKeyMLZUXPWXTTXEGR-UHFFFAOYSA-N
XLogP-0.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-(2-hydroxyethoxy)-N-(2-piperazin-1-ylethyl)undecanamide
CID 3148948
N-(3-piperazin-1-ylpropyl)pent-4-enamide
CID 62679296
3-(2,2-difluoroethoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 103206343
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
N-(3-aminopropyl)-4-prop-2-enoxybutanamide
CID 119406893
N-(2-piperazin-1-ylethyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119445635
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
N-(3-methoxypropyl)-3-piperazin-1-ylpropanamide
CID 28807760
1-ethenyl-3-(2-piperazin-1-ylethyl)urea
CID 108909147
5,5-dimethyl-N-(3-piperazin-1-ylpropyl)hexanamide
CID 119394555
2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
2,2-dimethyl-N-[3-oxo-3-(2-piperazin-1-ylethylamino)propyl]propanamide
CID 119445483

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide (CID 119447035) is N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide is C=CCOCCCC(=O)NCCN1CCNCC1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide?
The InChIKey is MLZUXPWXTTXEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-11-18-12-3-4-13(17)15-7-10-16-8-5-14-6-9-16/h2,14H,1,3-12H2,(H,15,17).
What are the key properties of N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide?
N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide has a molecular weight of 255.36 g/mol, XLogP of -0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-4-prop-2-enoxybutanamide is sourced from PubChem (CID 119447035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).