N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide

C20H23N5O2 — CID 6410786

IUPACN-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide
SMILESCOc1cc2n[nH]nc2cc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N5O2/c1-27-19-12-18-17(22-24-23-18)11-16(19)20(26)21-15-7-9-25(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyOXTOFRAJJGNAEW-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.36
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide (PubChem CID 6410786) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide
PubChem CID6410786
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide
SMILESCOc1cc2n[nH]nc2cc1C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N5O2/c1-27-19-12-18-17(22-24-23-18)11-16(19)20(26)21-15-7-9-25(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyOXTOFRAJJGNAEW-UHFFFAOYSA-N
XLogP2.36
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide (CID 6410786) is N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide is COc1cc2n[nH]nc2cc1C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide?
The InChIKey is OXTOFRAJJGNAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-19-12-18-17(22-24-23-18)11-16(19)20(26)21-15-7-9-25(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,21,26)(H,22,23,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-methoxy-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 6410786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).