1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide

C21H23N5O2 — CID 18082448

IUPAC1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C21H23N5O2/c1-2-26-19-11-10-15(14-18(19)23-24-26)20(27)22-17-9-5-4-8-16(17)21(28)25-12-6-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,27)
InChIKeyFTCYQBAFCOGYTG-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.33
Rot. Bonds4

About 1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide

1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide (PubChem CID 18082448) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide
PubChem CID18082448
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C21H23N5O2/c1-2-26-19-11-10-15(14-18(19)23-24-26)20(27)22-17-9-5-4-8-16(17)21(28)25-12-6-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,27)
InChIKeyFTCYQBAFCOGYTG-UHFFFAOYSA-N
XLogP3.33
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide (CID 18082448) is 1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)ccc21.
What is the InChIKey of 1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide?
The InChIKey is FTCYQBAFCOGYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-2-26-19-11-10-15(14-18(19)23-24-26)20(27)22-17-9-5-4-8-16(17)21(28)25-12-6-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,27).
What are the key properties of 1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide?
1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(piperidine-1-carbonyl)phenyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 18082448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).