4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide

C19H21N5O — CID 1469705

IUPAC4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide
SMILESCc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H21N5O/c1-14-7-8-18-17(13-14)21-22-24(18)16-9-11-23(12-10-16)19(25)20-15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3,(H,20,25)
InChIKeyXNGXMPLJJDBCHV-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.61
Rot. Bonds2

About 4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide

4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide (PubChem CID 1469705) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide
PubChem CID1469705
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide
SMILESCc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H21N5O/c1-14-7-8-18-17(13-14)21-22-24(18)16-9-11-23(12-10-16)19(25)20-15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3,(H,20,25)
InChIKeyXNGXMPLJJDBCHV-UHFFFAOYSA-N
XLogP3.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.61
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-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide (CID 1469705) is 4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide is Cc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is XNGXMPLJJDBCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-7-8-18-17(13-14)21-22-24(18)16-9-11-23(12-10-16)19(25)20-15-5-3-2-4-6-15/h2-8,13,16H,9-12H2,1H3,(H,20,25).
What are the key properties of 4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide?
4-(5-methylbenzotriazol-1-yl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.61, 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-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 1469705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).