4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide

C20H23N5O2 — CID 1469535

IUPAC4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(n3nnc4ccccc43)CC2)cc1
InChIInChI=1S/C20H23N5O2/c1-2-27-17-9-7-15(8-10-17)21-20(26)24-13-11-16(12-14-24)25-19-6-4-3-5-18(19)22-23-25/h3-10,16H,2,11-14H2,1H3,(H,21,26)
InChIKeyDJGCILYPHKKKBY-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.70
Rot. Bonds4

About 4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide

4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide (PubChem CID 1469535) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide
PubChem CID1469535
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(n3nnc4ccccc43)CC2)cc1
InChIInChI=1S/C20H23N5O2/c1-2-27-17-9-7-15(8-10-17)21-20(26)24-13-11-16(12-14-24)25-19-6-4-3-5-18(19)22-23-25/h3-10,16H,2,11-14H2,1H3,(H,21,26)
InChIKeyDJGCILYPHKKKBY-UHFFFAOYSA-N
XLogP3.70
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide (CID 1469535) is 4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC(n3nnc4ccccc43)CC2)cc1.
What is the InChIKey of 4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is DJGCILYPHKKKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-27-17-9-7-15(8-10-17)21-20(26)24-13-11-16(12-14-24)25-19-6-4-3-5-18(19)22-23-25/h3-10,16H,2,11-14H2,1H3,(H,21,26).
What are the key properties of 4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-yl)-N-(4-ethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 1469535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).