2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide

C14H18N6O — CID 60851422

IUPAC2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESO=C(CN1CCNCC1)Nc1cccc(-n2cnnc2)c1
InChIInChI=1S/C14H18N6O/c21-14(9-19-6-4-15-5-7-19)18-12-2-1-3-13(8-12)20-10-16-17-11-20/h1-3,8,10-11,15H,4-7,9H2,(H,18,21)
InChIKeyGJVYTEKCAGKATP-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.11
Rot. Bonds4

About 2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide

2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide (PubChem CID 60851422) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
PubChem CID60851422
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESO=C(CN1CCNCC1)Nc1cccc(-n2cnnc2)c1
InChIInChI=1S/C14H18N6O/c21-14(9-19-6-4-15-5-7-19)18-12-2-1-3-13(8-12)20-10-16-17-11-20/h1-3,8,10-11,15H,4-7,9H2,(H,18,21)
InChIKeyGJVYTEKCAGKATP-UHFFFAOYSA-N
XLogP0.11
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065
2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid
CID 65350381
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 62838993
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
2-piperazin-1-yl-N-(3-propoxyphenyl)acetamide
CID 60851959
2-piperazin-1-yl-N-pyridin-3-ylacetamide;hydrochloride
CID 156595313
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 60851602
2-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 62837178
2-(2,3-dihydro-1H-isoindol-1-yl)-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 167780536
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
The IUPAC name of 2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide (CID 60851422) is 2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide.
What is the SMILES notation for 2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
The canonical SMILES for 2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide is O=C(CN1CCNCC1)Nc1cccc(-n2cnnc2)c1.
What is the InChIKey of 2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
The InChIKey is GJVYTEKCAGKATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c21-14(9-19-6-4-15-5-7-19)18-12-2-1-3-13(8-12)20-10-16-17-11-20/h1-3,8,10-11,15H,4-7,9H2,(H,18,21).
What are the key properties of 2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide?
2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide has a molecular weight of 286.34 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 60851422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).