N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide

C20H27FN4O2 — CID 110091735

IUPACN-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cn(C)nc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN4O2/c1-24-13-17(11-22-19(26)14-27-2)20(23-24)16-7-9-25(10-8-16)12-15-3-5-18(21)6-4-15/h3-6,13,16H,7-12,14H2,1-2H3,(H,22,26)
InChIKeyMNNAWFLKRCVNFF-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.20
Rot. Bonds7

About N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide

N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide (PubChem CID 110091735) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide
PubChem CID110091735
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC NameN-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NCc1cn(C)nc1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN4O2/c1-24-13-17(11-22-19(26)14-27-2)20(23-24)16-7-9-25(10-8-16)12-15-3-5-18(21)6-4-15/h3-6,13,16H,7-12,14H2,1-2H3,(H,22,26)
InChIKeyMNNAWFLKRCVNFF-UHFFFAOYSA-N
XLogP2.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 25451605
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
N-[(3,5-difluorophenyl)methyl]-3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]propanamide
CID 53058883
3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55841098
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108853
4-(4-fluorophenyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-methyl-1H-imidazole-5-carboxamide
CID 155983105
2-[2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-1,4-dimethylpyrrole-3-carboxylic acid
CID 53095921
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
CID 86993237
4-fluoro-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 38401061
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152

Frequently Asked Questions

What is the IUPAC name of N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide (CID 110091735) is N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide is COCC(=O)NCc1cn(C)nc1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide?
The InChIKey is MNNAWFLKRCVNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-24-13-17(11-22-19(26)14-27-2)20(23-24)16-7-9-25(10-8-16)12-15-3-5-18(21)6-4-15/h3-6,13,16H,7-12,14H2,1-2H3,(H,22,26).
What are the key properties of N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide?
N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide has a molecular weight of 374.46 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1-methylpyrazol-4-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 110091735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).