N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide

C20H22N4O — CID 22933917

IUPACN-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H22N4O/c25-20(16-6-7-19-17(12-16)13-21-23-19)22-18-8-10-24(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18H,8-11,14H2,(H,21,23)(H,22,25)
InChIKeyMPXFLRIOJPGTMY-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.96
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide

N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide (PubChem CID 22933917) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
PubChem CID22933917
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H22N4O/c25-20(16-6-7-19-17(12-16)13-21-23-19)22-18-8-10-24(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18H,8-11,14H2,(H,21,23)(H,22,25)
InChIKeyMPXFLRIOJPGTMY-UHFFFAOYSA-N
XLogP2.96
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide (CID 22933917) is N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide?
The InChIKey is MPXFLRIOJPGTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(16-6-7-19-17(12-16)13-21-23-19)22-18-8-10-24(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18H,8-11,14H2,(H,21,23)(H,22,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 22933917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).