N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide

C13H23N3O — CID 90191014

IUPACN-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide
SMILESC#CCCCC(=O)N(C)CCN1CCNCC1
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-13(17)15(2)11-12-16-9-7-14-8-10-16/h1,14H,4-12H2,2H3
InChIKeyIHAVXYNHTKNCFH-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.15
Rot. Bonds6

About N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide

N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide (PubChem CID 90191014) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide.

Molecular Properties

Compound NameN-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide
PubChem CID90191014
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide
SMILESC#CCCCC(=O)N(C)CCN1CCNCC1
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-13(17)15(2)11-12-16-9-7-14-8-10-16/h1,14H,4-12H2,2H3
InChIKeyIHAVXYNHTKNCFH-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide?
The IUPAC name of N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide (CID 90191014) is N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide.
What is the SMILES notation for N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide?
The canonical SMILES for N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide is C#CCCCC(=O)N(C)CCN1CCNCC1.
What is the InChIKey of N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide?
The InChIKey is IHAVXYNHTKNCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-5-6-13(17)15(2)11-12-16-9-7-14-8-10-16/h1,14H,4-12H2,2H3.
What are the key properties of N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide?
N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide has a molecular weight of 237.35 g/mol, XLogP of 0.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-piperazin-1-ylethyl)hex-5-ynamide is sourced from PubChem (CID 90191014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).