N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide

C20H22N4O — CID 141134406

IUPACN-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3n[nH]c(C4CCNCC4)c3c2)cc1
InChIInChI=1S/C20H22N4O/c1-13(25)22-17-5-2-14(3-6-17)16-4-7-19-18(12-16)20(24-23-19)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyAVUPZKGFWSNCEU-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.66
Rot. Bonds3

About N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide

N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide (PubChem CID 141134406) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide
PubChem CID141134406
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3n[nH]c(C4CCNCC4)c3c2)cc1
InChIInChI=1S/C20H22N4O/c1-13(25)22-17-5-2-14(3-6-17)16-4-7-19-18(12-16)20(24-23-19)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyAVUPZKGFWSNCEU-UHFFFAOYSA-N
XLogP3.66
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide?
The IUPAC name of N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide (CID 141134406) is N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc3n[nH]c(C4CCNCC4)c3c2)cc1.
What is the InChIKey of N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide?
The InChIKey is AVUPZKGFWSNCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13(25)22-17-5-2-14(3-6-17)16-4-7-19-18(12-16)20(24-23-19)15-8-10-21-11-9-15/h2-7,12,15,21H,8-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide?
N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-piperidin-4-yl-2H-indazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 141134406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).