1-[4-(2-azidophenyl)piperazin-1-yl]ethanone

C12H15N5O — CID 151820307

IUPAC1-[4-(2-azidophenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccccc2N=[N+]=[N-])CC1
InChIInChI=1S/C12H15N5O/c1-10(18)16-6-8-17(9-7-16)12-5-3-2-4-11(12)14-15-13/h2-5H,6-9H2,1H3
InChIKeySCMJYCMMTMSGIH-UHFFFAOYSA-N
MW245.29 g/mol
LogP2.30
Rot. Bonds2

About 1-[4-(2-azidophenyl)piperazin-1-yl]ethanone

1-[4-(2-azidophenyl)piperazin-1-yl]ethanone (PubChem CID 151820307) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-[4-(2-azidophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-azidophenyl)piperazin-1-yl]ethanone
PubChem CID151820307
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-[4-(2-azidophenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccccc2N=[N+]=[N-])CC1
InChIInChI=1S/C12H15N5O/c1-10(18)16-6-8-17(9-7-16)12-5-3-2-4-11(12)14-15-13/h2-5H,6-9H2,1H3
InChIKeySCMJYCMMTMSGIH-UHFFFAOYSA-N
XLogP2.30
TPSA72.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

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Related Compounds

1-[4-(4-azido-2-chlorophenyl)piperazin-1-yl]ethanone
CID 169325203
tert-butyl N-[1-(2-azidophenyl)piperidin-4-yl]carbamate
CID 169325609
1-[4-[2-(methylamino)phenyl]piperazin-1-yl]ethanone
CID 59454370
2-(4-acetylpiperazin-1-yl)benzonitrile;ethane
CID 143432462
2-(4-acetylpiperazin-1-yl)benzenesulfonamide
CID 166232580
tert-butyl 4-(2-azido-3-fluorophenyl)piperazine-1-carboxylate
CID 169325790
1-[4-(2-methyl-3-nitrophenyl)piperazin-1-yl]ethanone
CID 68592977
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene
CID 144750411
1-[4-[4-(2-methylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9152764
4-(2-ethylphenyl)piperazine-1-carboxamide
CID 70281213
methoxyethane;1-[4-(2-methylsulfanylphenyl)piperazin-1-yl]ethanone
CID 144655686
1-[4-(2-amino-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 113392458

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-azidophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-azidophenyl)piperazin-1-yl]ethanone (CID 151820307) is 1-[4-(2-azidophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-azidophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-azidophenyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccccc2N=[N+]=[N-])CC1.
What is the InChIKey of 1-[4-(2-azidophenyl)piperazin-1-yl]ethanone?
The InChIKey is SCMJYCMMTMSGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-10(18)16-6-8-17(9-7-16)12-5-3-2-4-11(12)14-15-13/h2-5H,6-9H2,1H3.
What are the key properties of 1-[4-(2-azidophenyl)piperazin-1-yl]ethanone?
1-[4-(2-azidophenyl)piperazin-1-yl]ethanone has a molecular weight of 245.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-azidophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 151820307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).