N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide

C15H23N3O2 — CID 60937635

IUPACN-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
SMILESCN(CCOc1ccccc1)C(=O)CN1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-17(11-12-20-14-5-3-2-4-6-14)15(19)13-18-9-7-16-8-10-18/h2-6,16H,7-13H2,1H3
InChIKeyYRGVHEGTMJBPBP-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.43
Rot. Bonds6

About N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide

N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide (PubChem CID 60937635) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
PubChem CID60937635
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
SMILESCN(CCOc1ccccc1)C(=O)CN1CCNCC1
InChIInChI=1S/C15H23N3O2/c1-17(11-12-20-14-5-3-2-4-6-14)15(19)13-18-9-7-16-8-10-18/h2-6,16H,7-13H2,1H3
InChIKeyYRGVHEGTMJBPBP-UHFFFAOYSA-N
XLogP0.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide (CID 60937635) is N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide is CN(CCOc1ccccc1)C(=O)CN1CCNCC1.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide?
The InChIKey is YRGVHEGTMJBPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-17(11-12-20-14-5-3-2-4-6-14)15(19)13-18-9-7-16-8-10-18/h2-6,16H,7-13H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide?
N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide has a molecular weight of 277.37 g/mol, XLogP of 0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60937635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).