N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide

C14H27N3O2 — CID 106398234

IUPACN-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESC=CCCOCCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-4-5-11-19-12-8-16-13(18)14(2,3)17-9-6-15-7-10-17/h4,15H,1,5-12H2,2-3H3,(H,16,18)
InChIKeyKIBSNZSNFHTYKW-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.38
Rot. Bonds8

About N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 106398234) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID106398234
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESC=CCCOCCNC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-4-5-11-19-12-8-16-13(18)14(2,3)17-9-6-15-7-10-17/h4,15H,1,5-12H2,2-3H3,(H,16,18)
InChIKeyKIBSNZSNFHTYKW-UHFFFAOYSA-N
XLogP0.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.38
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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Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 106398234) is N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide is C=CCCOCCNC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is KIBSNZSNFHTYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-5-11-19-12-8-16-13(18)14(2,3)17-9-6-15-7-10-17/h4,15H,1,5-12H2,2-3H3,(H,16,18).
What are the key properties of N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 106398234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).