1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide

C22H24N4O2 — CID 42477825

IUPAC1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C22H24N4O2/c27-21(23-13-10-16-6-2-1-3-7-16)17-11-14-26(15-12-17)22(28)20-18-8-4-5-9-19(18)24-25-20/h1-9,17H,10-15H2,(H,23,27)(H,24,25)
InChIKeyNQSNMNRBWWVRRZ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.77
Rot. Bonds5

About 1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide

1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 42477825) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID42477825
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C22H24N4O2/c27-21(23-13-10-16-6-2-1-3-7-16)17-11-14-26(15-12-17)22(28)20-18-8-4-5-9-19(18)24-25-20/h1-9,17H,10-15H2,(H,23,27)(H,24,25)
InChIKeyNQSNMNRBWWVRRZ-UHFFFAOYSA-N
XLogP2.77
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide (CID 42477825) is 1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of 1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is NQSNMNRBWWVRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(23-13-10-16-6-2-1-3-7-16)17-11-14-26(15-12-17)22(28)20-18-8-4-5-9-19(18)24-25-20/h1-9,17H,10-15H2,(H,23,27)(H,24,25).
What are the key properties of 1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide?
1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazole-3-carbonyl)-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 42477825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).