N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

C24H26F2N4O2 — CID 25306830

IUPACN-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccc2OC(F)F)CC1
InChIInChI=1S/C24H26F2N4O2/c25-24(26)32-21-9-5-4-8-19(21)17-29-14-11-20(12-15-29)30-22(10-13-27-30)28-23(31)16-18-6-2-1-3-7-18/h1-10,13,20,24H,11-12,14-17H2,(H,28,31)
InChIKeyIKAMTVIASCEYTO-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.50
Rot. Bonds8

About N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide

N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (PubChem CID 25306830) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
PubChem CID25306830
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC NameN-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccc2OC(F)F)CC1
InChIInChI=1S/C24H26F2N4O2/c25-24(26)32-21-9-5-4-8-19(21)17-29-14-11-20(12-15-29)30-22(10-13-27-30)28-23(31)16-18-6-2-1-3-7-18/h1-10,13,20,24H,11-12,14-17H2,(H,28,31)
InChIKeyIKAMTVIASCEYTO-UHFFFAOYSA-N
XLogP4.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.50
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
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-(oxetan-3-yloxy)phenyl]acetamide
CID 118560543
2-[4-(3,3-difluorocyclobutyl)oxyphenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560613
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-[(3-methyloxetan-3-yl)methoxy]phenyl]acetamide
CID 126740697
N-(1-benzyl-1H-pyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790124
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790322
N-{1-[1-(2-fluoro-5-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790783
N-{1-[1-(3,4-dimethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24791072

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide (CID 25306830) is N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccnn1C1CCN(Cc2ccccc2OC(F)F)CC1.
What is the InChIKey of N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is IKAMTVIASCEYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c25-24(26)32-21-9-5-4-8-19(21)17-29-14-11-20(12-15-29)30-22(10-13-27-30)28-23(31)16-18-6-2-1-3-7-18/h1-10,13,20,24H,11-12,14-17H2,(H,28,31).
What are the key properties of N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide?
N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 440.49 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 25306830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).