1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

C26H29FN4O2 — CID 47081061

IUPAC1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1
InChIInChI=1S/C26H29FN4O2/c1-33-25-8-3-2-6-22(25)28-26(32)18-13-15-30(16-14-18)17-23-21-5-4-7-24(21)31(29-23)20-11-9-19(27)10-12-20/h2-3,6,8-12,18H,4-5,7,13-17H2,1H3,(H,28,32)
InChIKeyAHMDZALZXLPMPB-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.36
Rot. Bonds6

About 1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 47081061) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID47081061
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1
InChIInChI=1S/C26H29FN4O2/c1-33-25-8-3-2-6-22(25)28-26(32)18-13-15-30(16-14-18)17-23-21-5-4-7-24(21)31(29-23)20-11-9-19(27)10-12-20/h2-3,6,8-12,18H,4-5,7,13-17H2,1H3,(H,28,32)
InChIKeyAHMDZALZXLPMPB-UHFFFAOYSA-N
XLogP4.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24592437
N-(3-ethoxypropyl)-1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]piperidine-4-carboxamide
CID 49230064
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37187519
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 16909483
1-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 119904476
(3R)-1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 93490919
1-(4-fluorophenyl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30523169
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 86825551
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 37176954
1-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 119046597
N-(2-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 37179444

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 47081061) is 1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is AHMDZALZXLPMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-33-25-8-3-2-6-22(25)28-26(32)18-13-15-30(16-14-18)17-23-21-5-4-7-24(21)31(29-23)20-11-9-19(27)10-12-20/h2-3,6,8-12,18H,4-5,7,13-17H2,1H3,(H,28,32).
What are the key properties of 1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 47081061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).