1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide

C18H22N4O2 — CID 75461943

IUPAC1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccn[nH]2)(c2ccccc2)CC1
InChIInChI=1S/C18H22N4O2/c1-14(23)22-11-8-18(9-12-22,15-5-3-2-4-6-15)17(24)19-13-16-7-10-20-21-16/h2-7,10H,8-9,11-13H2,1H3,(H,19,24)(H,20,21)
InChIKeyHGWIWVUFYOGYGT-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.61
Rot. Bonds4

About 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide

1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide (PubChem CID 75461943) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
PubChem CID75461943
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccn[nH]2)(c2ccccc2)CC1
InChIInChI=1S/C18H22N4O2/c1-14(23)22-11-8-18(9-12-22,15-5-3-2-4-6-15)17(24)19-13-16-7-10-20-21-16/h2-7,10H,8-9,11-13H2,1H3,(H,19,24)(H,20,21)
InChIKeyHGWIWVUFYOGYGT-UHFFFAOYSA-N
XLogP1.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide (CID 75461943) is 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2ccn[nH]2)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HGWIWVUFYOGYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-14(23)22-11-8-18(9-12-22,15-5-3-2-4-6-15)17(24)19-13-16-7-10-20-21-16/h2-7,10H,8-9,11-13H2,1H3,(H,19,24)(H,20,21).
What are the key properties of 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide?
1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-phenyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 75461943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).