[4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate

C14H25N5O4 — CID 174985332

IUPAC[4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate
SMILESCOCC(=O)OCN1CCN(C(=O)CCCCCN=[N+]=[N-])CC1
InChIInChI=1S/C14H25N5O4/c1-22-11-14(21)23-12-18-7-9-19(10-8-18)13(20)5-3-2-4-6-16-17-15/h2-12H2,1H3
InChIKeyWYFQMLQPMQCFLW-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.15
Rot. Bonds10

About [4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate

[4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate (PubChem CID 174985332) has the molecular formula C14H25N5O4 and a molecular weight of 327.39 g/mol. Its IUPAC name is [4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate.

Molecular Properties

Compound Name[4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate
PubChem CID174985332
Molecular FormulaC14H25N5O4
Molecular Weight327.39 g/mol
Exact Mass327.19
IUPAC Name[4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate
SMILESCOCC(=O)OCN1CCN(C(=O)CCCCCN=[N+]=[N-])CC1
InChIInChI=1S/C14H25N5O4/c1-22-11-14(21)23-12-18-7-9-19(10-8-18)13(20)5-3-2-4-6-16-17-15/h2-12H2,1H3
InChIKeyWYFQMLQPMQCFLW-UHFFFAOYSA-N
XLogP1.15
TPSA107.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze [4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-amino-2-oxoethyl)-10-(5-azidopentanoyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 146174292
tert-butyl N-[[4-(6-azidohexanoyl)piperazine-1-carbonyl]amino]carbamate
CID 172612180
16-azidohexadecan-2-one
CID 56624829
2-[6-[4-(methylsulfanylmethyl)piperazin-1-yl]-6-oxohexyl]guanidine
CID 123762989
methyl 12-azido-3-oxododecanoate
CID 166511245
ethyl 5-azidopentanoate;prop-1-yne
CID 167542550
[2,3,4,5,6-pentakis(11-azidoundecanoyloxy)cyclohexyl] 11-azidoundecanoate
CID 102393083
15-azidopentadecanoyl hexadecanoate
CID 123227762
(2,3,4,5,6-pentafluorophenyl) 6-azidohexanoate
CID 163715517
ethyl 4-(2-azidoethyl)piperazine-1-carboxylate
CID 107877648
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
14-azidotetradecane-2,5-dione
CID 135040428

Frequently Asked Questions

What is the IUPAC name of [4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate?
The IUPAC name of [4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate (CID 174985332) is [4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate.
What is the SMILES notation for [4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate?
The canonical SMILES for [4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate is COCC(=O)OCN1CCN(C(=O)CCCCCN=[N+]=[N-])CC1.
What is the InChIKey of [4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate?
The InChIKey is WYFQMLQPMQCFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O4/c1-22-11-14(21)23-12-18-7-9-19(10-8-18)13(20)5-3-2-4-6-16-17-15/h2-12H2,1H3.
What are the key properties of [4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate?
[4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate has a molecular weight of 327.39 g/mol, XLogP of 1.15, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-azidohexanoyl)piperazin-1-yl]methyl 2-methoxyacetate is sourced from PubChem (CID 174985332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).