N-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide

C20H23N5O2 — CID 1469710

IUPACN-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1
InChIInChI=1S/C20H23N5O2/c1-14-3-8-19-18(13-14)22-23-25(19)16-9-11-24(12-10-16)20(26)21-15-4-6-17(27-2)7-5-15/h3-8,13,16H,9-12H2,1-2H3,(H,21,26)
InChIKeyCYZTXTKCUBKHKO-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.62
Rot. Bonds3

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

N-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide (PubChem CID 1469710) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide
PubChem CID1469710
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1
InChIInChI=1S/C20H23N5O2/c1-14-3-8-19-18(13-14)22-23-25(19)16-9-11-24(12-10-16)20(26)21-15-4-6-17(27-2)7-5-15/h3-8,13,16H,9-12H2,1-2H3,(H,21,26)
InChIKeyCYZTXTKCUBKHKO-UHFFFAOYSA-N
XLogP3.62
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide (CID 1469710) is N-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide?
The InChIKey is CYZTXTKCUBKHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14-3-8-19-18(13-14)22-23-25(19)16-9-11-24(12-10-16)20(26)21-15-4-6-17(27-2)7-5-15/h3-8,13,16H,9-12H2,1-2H3,(H,21,26).
What are the key properties of N-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide?
N-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 1469710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).