1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide

C23H24N4O2 — CID 55608497

IUPAC1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C23H24N4O2/c28-22(16-18-8-3-1-4-9-18)26-14-7-10-19(17-26)23(29)24-21-13-15-27(25-21)20-11-5-2-6-12-20/h1-6,8-9,11-13,15,19H,7,10,14,16-17H2,(H,24,25,29)
InChIKeyUGKUMSHHCGTZER-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.29
Rot. Bonds5

About 1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide

1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide (PubChem CID 55608497) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide
PubChem CID55608497
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C23H24N4O2/c28-22(16-18-8-3-1-4-9-18)26-14-7-10-19(17-26)23(29)24-21-13-15-27(25-21)20-11-5-2-6-12-20/h1-6,8-9,11-13,15,19H,7,10,14,16-17H2,(H,24,25,29)
InChIKeyUGKUMSHHCGTZER-UHFFFAOYSA-N
XLogP3.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide (CID 55608497) is 1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide is O=C(Nc1ccn(-c2ccccc2)n1)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide?
The InChIKey is UGKUMSHHCGTZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(16-18-8-3-1-4-9-18)26-14-7-10-19(17-26)23(29)24-21-13-15-27(25-21)20-11-5-2-6-12-20/h1-6,8-9,11-13,15,19H,7,10,14,16-17H2,(H,24,25,29).
What are the key properties of 1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide?
1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)-N-(1-phenylpyrazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55608497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).