N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide

C18H24N4O2 — CID 53185320

IUPACN-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-24-12-9-19-18(23)22-10-7-15(8-11-22)17-13-16(20-21-17)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyZLGKHPIAQNHYDC-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.61
Rot. Bonds5

About N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide

N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 53185320) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID53185320
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-24-12-9-19-18(23)22-10-7-15(8-11-22)17-13-16(20-21-17)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyZLGKHPIAQNHYDC-UHFFFAOYSA-N
XLogP2.61
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 53185320) is N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide is COCCNC(=O)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is ZLGKHPIAQNHYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-12-9-19-18(23)22-10-7-15(8-11-22)17-13-16(20-21-17)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(3-phenyl-1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 53185320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).