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

C24H26F2N4O2 — CID 45235253

IUPACN-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2cccc(F)c2F)CC1)c1ccccc1
InChIInChI=1S/C24H26F2N4O2/c1-32-23(17-6-3-2-4-7-17)24(31)28-21-10-13-27-30(21)19-11-14-29(15-12-19)16-18-8-5-9-20(25)22(18)26/h2-10,13,19,23H,11-12,14-16H2,1H3,(H,28,31)
InChIKeyDXRWJICDKGOVDN-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.32
Rot. Bonds7

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

N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (PubChem CID 45235253) has the molecular formula C24H26F2N4O2 and a molecular weight of 440.49 g/mol. Its IUPAC name is N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
PubChem CID45235253
Molecular FormulaC24H26F2N4O2
Molecular Weight440.49 g/mol
Exact Mass440.20
IUPAC NameN-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)Nc1ccnn1C1CCN(Cc2cccc(F)c2F)CC1)c1ccccc1
InChIInChI=1S/C24H26F2N4O2/c1-32-23(17-6-3-2-4-7-17)24(31)28-21-10-13-27-30(21)19-11-14-29(15-12-19)16-18-8-5-9-20(25)22(18)26/h2-10,13,19,23H,11-12,14-16H2,1H3,(H,28,31)
InChIKeyDXRWJICDKGOVDN-UHFFFAOYSA-N
XLogP4.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide (CID 45235253) is N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is COC(C(=O)Nc1ccnn1C1CCN(Cc2cccc(F)c2F)CC1)c1ccccc1.
What is the InChIKey of N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is DXRWJICDKGOVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2/c1-32-23(17-6-3-2-4-7-17)24(31)28-21-10-13-27-30(21)19-11-14-29(15-12-19)16-18-8-5-9-20(25)22(18)26/h2-10,13,19,23H,11-12,14-16H2,1H3,(H,28,31).
What are the key properties of N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide?
N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 440.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 45235253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).