N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C21H28N4O — CID 5307462

IUPACN-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N4O/c26-21(16-25-15-18-8-4-5-9-20(18)23-25)22-19-10-12-24(13-11-19)14-17-6-2-1-3-7-17/h1-3,6-7,15,19H,4-5,8-14,16H2,(H,22,26)
InChIKeyPBNBLYKBJVTIMW-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.54
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5307462) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5307462
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H28N4O/c26-21(16-25-15-18-8-4-5-9-20(18)23-25)22-19-10-12-24(13-11-19)14-17-6-2-1-3-7-17/h1-3,6-7,15,19H,4-5,8-14,16H2,(H,22,26)
InChIKeyPBNBLYKBJVTIMW-UHFFFAOYSA-N
XLogP2.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5307462) is N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCC2)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is PBNBLYKBJVTIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c26-21(16-25-15-18-8-4-5-9-20(18)23-25)22-19-10-12-24(13-11-19)14-17-6-2-1-3-7-17/h1-3,6-7,15,19H,4-5,8-14,16H2,(H,22,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5307462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).