N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C17H23ClN4O2 — CID 120918777

IUPACN-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCOc1ccccc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H22N4O2.ClH/c22-16(19-12-14-23-15-5-2-1-3-6-15)17(7-10-18-11-8-17)21-13-4-9-20-21;/h1-6,9,13,18H,7-8,10-12,14H2,(H,19,22);1H
InChIKeyVOYYCFBUTATFPE-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.58
Rot. Bonds6

About N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120918777) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120918777
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC NameN-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCOc1ccccc1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C17H22N4O2.ClH/c22-16(19-12-14-23-15-5-2-1-3-6-15)17(7-10-18-11-8-17)21-13-4-9-20-21;/h1-6,9,13,18H,7-8,10-12,14H2,(H,19,22);1H
InChIKeyVOYYCFBUTATFPE-UHFFFAOYSA-N
XLogP1.58
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919956
N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923697
N-[2-(2-methylphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926962
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[2-(benzenesulfonamido)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921380
N-[2-oxo-2-(2-phenylethylamino)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120929101
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925648
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923643
N-[2-(1-phenylpyrazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929723
N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120918777) is N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(NCCOc1ccccc1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VOYYCFBUTATFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c22-16(19-12-14-23-15-5-2-1-3-6-15)17(7-10-18-11-8-17)21-13-4-9-20-21;/h1-6,9,13,18H,7-8,10-12,14H2,(H,19,22);1H.
What are the key properties of N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120918777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).