1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide

C22H28N6O — CID 30900310

IUPAC1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCCN3CCN(c4cccc(C)c4)CC3)ccc21
InChIInChI=1S/C22H28N6O/c1-3-28-21-8-7-18(16-20(21)24-25-28)22(29)23-9-10-26-11-13-27(14-12-26)19-6-4-5-17(2)15-19/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,29)
InChIKeyHMLSTRSGMIRMTI-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.31
Rot. Bonds6

About 1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide

1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide (PubChem CID 30900310) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide
PubChem CID30900310
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)NCCN3CCN(c4cccc(C)c4)CC3)ccc21
InChIInChI=1S/C22H28N6O/c1-3-28-21-8-7-18(16-20(21)24-25-28)22(29)23-9-10-26-11-13-27(14-12-26)19-6-4-5-17(2)15-19/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,29)
InChIKeyHMLSTRSGMIRMTI-UHFFFAOYSA-N
XLogP2.31
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 39982088
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-methylsulfonylbenzamide
CID 46462236
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46410385
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
1-ethyl-N-(6-hydroxyhexyl)benzotriazole-5-carboxamide
CID 103918979
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]benzamide
CID 55760895
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide
CID 30900136
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-4-pyrrol-1-ylbenzamide
CID 46447895

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide (CID 30900310) is 1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)NCCN3CCN(c4cccc(C)c4)CC3)ccc21.
What is the InChIKey of 1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide?
The InChIKey is HMLSTRSGMIRMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-3-28-21-8-7-18(16-20(21)24-25-28)22(29)23-9-10-26-11-13-27(14-12-26)19-6-4-5-17(2)15-19/h4-8,15-16H,3,9-14H2,1-2H3,(H,23,29).
What are the key properties of 1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide?
1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 30900310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).