N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide

C17H23N5O2 — CID 91774302

IUPACN-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NC1CCN(C2CCOCC2)CC1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H23N5O2/c23-17(12-1-2-15-16(11-12)20-21-19-15)18-13-3-7-22(8-4-13)14-5-9-24-10-6-14/h1-2,11,13-14H,3-10H2,(H,18,23)(H,19,20,21)
InChIKeyZIIUIIWNHKXKTK-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.33
Rot. Bonds3

About N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide

N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide (PubChem CID 91774302) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide
PubChem CID91774302
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NC1CCN(C2CCOCC2)CC1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H23N5O2/c23-17(12-1-2-15-16(11-12)20-21-19-15)18-13-3-7-22(8-4-13)14-5-9-24-10-6-14/h1-2,11,13-14H,3-10H2,(H,18,23)(H,19,20,21)
InChIKeyZIIUIIWNHKXKTK-UHFFFAOYSA-N
XLogP1.33
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide (CID 91774302) is N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide is O=C(NC1CCN(C2CCOCC2)CC1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide?
The InChIKey is ZIIUIIWNHKXKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17(12-1-2-15-16(11-12)20-21-19-15)18-13-3-7-22(8-4-13)14-5-9-24-10-6-14/h1-2,11,13-14H,3-10H2,(H,18,23)(H,19,20,21).
What are the key properties of N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide?
N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)piperidin-4-yl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 91774302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).