N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide

C24H27FN4O2 — CID 45226115

IUPACN-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H27FN4O2/c1-31-23(19-5-3-2-4-6-19)24(30)27-22-11-14-26-29(22)21-12-15-28(16-13-21)17-18-7-9-20(25)10-8-18/h2-11,14,21,23H,12-13,15-17H2,1H3,(H,27,30)
InChIKeyHWIKBYWXWMQJTF-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.19
Rot. Bonds7

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

N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (PubChem CID 45226115) has the molecular formula C24H27FN4O2 and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
PubChem CID45226115
Molecular FormulaC24H27FN4O2
Molecular Weight422.50 g/mol
Exact Mass422.21
IUPAC NameN-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H27FN4O2/c1-31-23(19-5-3-2-4-6-19)24(30)27-22-11-14-26-29(22)21-12-15-28(16-13-21)17-18-7-9-20(25)10-8-18/h2-11,14,21,23H,12-13,15-17H2,1H3,(H,27,30)
InChIKeyHWIKBYWXWMQJTF-UHFFFAOYSA-N
XLogP4.19
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

GLS1 Inhibitor
CID 100951644
US10040788, Example 2(b)
CID 118542707
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790124
2-methoxy-N-{1-[1-(4-methylbenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-phenylacetamide
CID 24790333
N-{1-[1-(2-fluoro-5-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790783
N-[2-[1-(2-ethoxybenzyl)-4-piperidyl]pyrazol-3-yl]-3-phenyl-propionamide
CID 24791181
N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 24792026
N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24819455
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]acetamide
CID 145977787
US10040788, Example 13(a)
CID 118542691
US10294221, Example 12(a)
CID 118554579
US10040788, Example 12(a)
CID 118554580

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (CID 45226115) is N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1ccnn1C1CCN(Cc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is HWIKBYWXWMQJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2/c1-31-23(19-5-3-2-4-6-19)24(30)27-22-11-14-26-29(22)21-12-15-28(16-13-21)17-18-7-9-20(25)10-8-18/h2-11,14,21,23H,12-13,15-17H2,1H3,(H,27,30).
What are the key properties of N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 422.50 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 45226115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).