4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide

C25H25N5O — CID 1469699

IUPAC4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide
SMILESCc1ccc2c(c1)nnn2C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H25N5O/c1-19-12-13-24-23(18-19)26-27-30(24)22-14-16-28(17-15-22)25(31)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,22H,14-17H2,1H3
InChIKeyZKEZBJNEFAELHW-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.33
Rot. Bonds3

About 4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide

4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide (PubChem CID 1469699) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide
PubChem CID1469699
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide
SMILESCc1ccc2c(c1)nnn2C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H25N5O/c1-19-12-13-24-23(18-19)26-27-30(24)22-14-16-28(17-15-22)25(31)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,22H,14-17H2,1H3
InChIKeyZKEZBJNEFAELHW-UHFFFAOYSA-N
XLogP5.33
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide?
The IUPAC name of 4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide (CID 1469699) is 4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide is Cc1ccc2c(c1)nnn2C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide?
The InChIKey is ZKEZBJNEFAELHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-19-12-13-24-23(18-19)26-27-30(24)22-14-16-28(17-15-22)25(31)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,22H,14-17H2,1H3.
What are the key properties of 4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide?
4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide is sourced from PubChem (CID 1469699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).