N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide

C18H23FN4O2 — CID 42593691

IUPACN-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(C)=O)CC2)c(F)c1
InChIInChI=1S/C18H23FN4O2/c1-13(24)21-18-5-8-20-23(18)15-6-9-22(10-7-15)12-14-3-4-16(25-2)11-17(14)19/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,21,24)
InChIKeyAFZBHCOPCDHPOL-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.83
Rot. Bonds5

About N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide

N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide (PubChem CID 42593691) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
PubChem CID42593691
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide
SMILESCOc1ccc(CN2CCC(n3nccc3NC(C)=O)CC2)c(F)c1
InChIInChI=1S/C18H23FN4O2/c1-13(24)21-18-5-8-20-23(18)15-6-9-22(10-7-15)12-14-3-4-16(25-2)11-17(14)19/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,21,24)
InChIKeyAFZBHCOPCDHPOL-UHFFFAOYSA-N
XLogP2.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
(5S,7R)-5-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136252896
5,7-Difluoro-2-propan-2-yl-9-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.14,8.018,22]tricosa-1(21),4(23),5,7,15(22),16,19-heptaen-14-one
CID 155520832
5-chloro-6-(2,6-difluoro-4-methoxyphenyl)-1-[(2S)-2-methylbutyl]-3-pyrazol-1-ylpyrazin-2-one
CID 24900454
6-oxo-2-pyrazol-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 44231440
N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44232172
N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 57878392
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560394
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560472
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]acetamide
CID 126740697
6-[(3S,4S)-1-(4-methoxybenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886496

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
The IUPAC name of N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide (CID 42593691) is N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide.
What is the SMILES notation for N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
The canonical SMILES for N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide is COc1ccc(CN2CCC(n3nccc3NC(C)=O)CC2)c(F)c1.
What is the InChIKey of N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
The InChIKey is AFZBHCOPCDHPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-13(24)21-18-5-8-20-23(18)15-6-9-22(10-7-15)12-14-3-4-16(25-2)11-17(14)19/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide?
N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 42593691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).