N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H25ClN4O3 — CID 120919956

IUPACN-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(OCCNC(=O)C2(n3cccn3)CCNCC2)cc1.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-24-15-3-5-16(6-4-15)25-14-12-20-17(23)18(7-10-19-11-8-18)22-13-2-9-21-22;/h2-6,9,13,19H,7-8,10-12,14H2,1H3,(H,20,23);1H
InChIKeyKFCQDHZKMFDSSO-UHFFFAOYSA-N
MW380.88 g/mol
LogP1.59
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120919956) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120919956
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(OCCNC(=O)C2(n3cccn3)CCNCC2)cc1.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-24-15-3-5-16(6-4-15)25-14-12-20-17(23)18(7-10-19-11-8-18)22-13-2-9-21-22;/h2-6,9,13,19H,7-8,10-12,14H2,1H3,(H,20,23);1H
InChIKeyKFCQDHZKMFDSSO-UHFFFAOYSA-N
XLogP1.59
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923697
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923643
N-[2-(2-methylphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926962
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927856
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120927526
N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927589
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 119694181
N-[(4-methoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918265
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925648
N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931422

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120919956) is N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is COc1ccc(OCCNC(=O)C2(n3cccn3)CCNCC2)cc1.Cl.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is KFCQDHZKMFDSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.ClH/c1-24-15-3-5-16(6-4-15)25-14-12-20-17(23)18(7-10-19-11-8-18)22-13-2-9-21-22;/h2-6,9,13,19H,7-8,10-12,14H2,1H3,(H,20,23);1H.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120919956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).