N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide

C21H29FN4O2 — CID 155492379

IUPACN-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
SMILESCOC1(C(=O)NCCc2ccccc2F)CCN(CCCn2cccn2)CC1
InChIInChI=1S/C21H29FN4O2/c1-28-21(20(27)23-12-8-18-6-2-3-7-19(18)22)9-16-25(17-10-21)13-5-15-26-14-4-11-24-26/h2-4,6-7,11,14H,5,8-10,12-13,15-17H2,1H3,(H,23,27)
InChIKeyPGWMUQZOYFLLOL-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.25
Rot. Bonds9

About N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide

N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 155492379) has the molecular formula C21H29FN4O2 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
PubChem CID155492379
Molecular FormulaC21H29FN4O2
Molecular Weight388.49 g/mol
Exact Mass388.23
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
SMILESCOC1(C(=O)NCCc2ccccc2F)CCN(CCCn2cccn2)CC1
InChIInChI=1S/C21H29FN4O2/c1-28-21(20(27)23-12-8-18-6-2-3-7-19(18)22)9-16-25(17-10-21)13-5-15-26-14-4-11-24-26/h2-4,6-7,11,14H,5,8-10,12-13,15-17H2,1H3,(H,23,27)
InChIKeyPGWMUQZOYFLLOL-UHFFFAOYSA-N
XLogP2.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111362002
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973603
2-[2-(methylamino)ethyl]-N-(3-pyrazol-1-ylpropyl)benzamide
CID 104548263
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 65463974
1-N',1-N'-diethyl-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977349
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 60867022
1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392369
1-[2-(2,3-difluorophenyl)ethyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111566771
N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
N-[2-(2-fluorophenyl)ethyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109022
1-[2-(2,3-difluorophenyl)ethyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111566770

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide (CID 155492379) is N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide is COC1(C(=O)NCCc2ccccc2F)CCN(CCCn2cccn2)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is PGWMUQZOYFLLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2/c1-28-21(20(27)23-12-8-18-6-2-3-7-19(18)22)9-16-25(17-10-21)13-5-15-26-14-4-11-24-26/h2-4,6-7,11,14H,5,8-10,12-13,15-17H2,1H3,(H,23,27).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 155492379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).