1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide

C20H22N4O — CID 22933424

IUPAC1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22N4O/c25-20(22-18-6-7-19-17(12-18)13-21-23-19)16-8-10-24(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16H,8-11,14H2,(H,21,23)(H,22,25)
InChIKeyVRDAXVYXKCJWKV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.41
Rot. Bonds4

About 1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide

1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide (PubChem CID 22933424) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide
PubChem CID22933424
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22N4O/c25-20(22-18-6-7-19-17(12-18)13-21-23-19)16-8-10-24(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16H,8-11,14H2,(H,21,23)(H,22,25)
InChIKeyVRDAXVYXKCJWKV-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide (CID 22933424) is 1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide?
The InChIKey is VRDAXVYXKCJWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c25-20(22-18-6-7-19-17(12-18)13-21-23-19)16-8-10-24(11-9-16)14-15-4-2-1-3-5-15/h1-7,12-13,16H,8-11,14H2,(H,21,23)(H,22,25).
What are the key properties of 1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide?
1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(1H-indazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 22933424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).