4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide

C20H23N5O — CID 1469706

IUPAC4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)c1
InChIInChI=1S/C20H23N5O/c1-14-4-3-5-16(12-14)21-20(26)24-10-8-17(9-11-24)25-19-7-6-15(2)13-18(19)22-23-25/h3-7,12-13,17H,8-11H2,1-2H3,(H,21,26)
InChIKeyACMRGIXYEDKTTM-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.92
Rot. Bonds2

About 4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide

4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 1469706) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID1469706
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)c1
InChIInChI=1S/C20H23N5O/c1-14-4-3-5-16(12-14)21-20(26)24-10-8-17(9-11-24)25-19-7-6-15(2)13-18(19)22-23-25/h3-7,12-13,17H,8-11H2,1-2H3,(H,21,26)
InChIKeyACMRGIXYEDKTTM-UHFFFAOYSA-N
XLogP3.92
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide (CID 1469706) is 4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)c1.
What is the InChIKey of 4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is ACMRGIXYEDKTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-4-3-5-16(12-14)21-20(26)24-10-8-17(9-11-24)25-19-7-6-15(2)13-18(19)22-23-25/h3-7,12-13,17H,8-11H2,1-2H3,(H,21,26).
What are the key properties of 4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide?
4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylbenzotriazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1469706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).