2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide

C18H26N6O2 — CID 167788480

IUPAC2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide
SMILESCOc1ccc(C2CNCCN2C(=O)NCCCc2cnn(C)n2)cc1
InChIInChI=1S/C18H26N6O2/c1-23-21-12-15(22-23)4-3-9-20-18(25)24-11-10-19-13-17(24)14-5-7-16(26-2)8-6-14/h5-8,12,17,19H,3-4,9-11,13H2,1-2H3,(H,20,25)
InChIKeyVXLDMRKRFVQUPI-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.11
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide

2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide (PubChem CID 167788480) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide
PubChem CID167788480
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide
SMILESCOc1ccc(C2CNCCN2C(=O)NCCCc2cnn(C)n2)cc1
InChIInChI=1S/C18H26N6O2/c1-23-21-12-15(22-23)4-3-9-20-18(25)24-11-10-19-13-17(24)14-5-7-16(26-2)8-6-14/h5-8,12,17,19H,3-4,9-11,13H2,1-2H3,(H,20,25)
InChIKeyVXLDMRKRFVQUPI-UHFFFAOYSA-N
XLogP1.11
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 124983434
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 124941836
4-imidazol-1-yl-1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 124953102
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227
3-[2-[2-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110109396
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
[2-(4-methoxyphenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 110109389
1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 125005845
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124983690
isoquinolin-1-yl-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 110109418
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408
3-(2-ethylimidazol-1-yl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109410

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide (CID 167788480) is 2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide is COc1ccc(C2CNCCN2C(=O)NCCCc2cnn(C)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide?
The InChIKey is VXLDMRKRFVQUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-23-21-12-15(22-23)4-3-9-20-18(25)24-11-10-19-13-17(24)14-5-7-16(26-2)8-6-14/h5-8,12,17,19H,3-4,9-11,13H2,1-2H3,(H,20,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide?
2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-(2-methyltriazol-4-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 167788480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).