N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride

C18H24ClFN4O2 — CID 171667424

IUPACN-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCC(Oc3cccc(F)c3)CC2)nn1C.Cl
InChIInChI=1S/C18H23FN4O2.ClH/c1-13-10-17(21-22(13)2)20-18(24)12-23-8-6-15(7-9-23)25-16-5-3-4-14(19)11-16;/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,20,21,24);1H
InChIKeyWMMPXDDNLNMBMK-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.77
Rot. Bonds5

About N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride

N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 171667424) has the molecular formula C18H24ClFN4O2 and a molecular weight of 382.87 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride
PubChem CID171667424
Molecular FormulaC18H24ClFN4O2
Molecular Weight382.87 g/mol
Exact Mass382.16
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCC(Oc3cccc(F)c3)CC2)nn1C.Cl
InChIInChI=1S/C18H23FN4O2.ClH/c1-13-10-17(21-22(13)2)20-18(24)12-23-8-6-15(7-9-23)25-16-5-3-4-14(19)11-16;/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,20,21,24);1H
InChIKeyWMMPXDDNLNMBMK-UHFFFAOYSA-N
XLogP2.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,5-dimethylpyrazol-3-yl)-2-(4-pyrazin-2-yloxypiperidin-1-yl)acetamide
CID 46981203
2-[4-(3-fluorophenoxy)piperidin-1-yl]-N-prop-2-enylacetamide
CID 91829203
N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[(3S)-3-(3-fluorophenoxy)pyrrolidin-1-yl]acetamide
CID 170673043
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-(4-phenoxypiperidin-1-yl)acetamide
CID 47544876
4-(3-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981142
methyl N-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70728293
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]ethanone
CID 91830744
N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-(4-pyridin-4-yloxypiperidin-1-yl)acetamide
CID 170673157
2-methylpropyl 4-(3-fluorophenoxy)piperidine-1-carboxylate
CID 68837389
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-fluorophenyl)acetamide;hydrochloride
CID 119928163
3-[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 100748397

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride (CID 171667424) is N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride is Cc1cc(NC(=O)CN2CCC(Oc3cccc(F)c3)CC2)nn1C.Cl.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is WMMPXDDNLNMBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2.ClH/c1-13-10-17(21-22(13)2)20-18(24)12-23-8-6-15(7-9-23)25-16-5-3-4-14(19)11-16;/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,20,21,24);1H.
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride?
N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 382.87 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-2-[4-(3-fluorophenoxy)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 171667424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).