3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C23H25FN4O2 — CID 42557240

IUPAC3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1CN1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C23H25FN4O2/c1-30-21-8-3-2-5-18(21)16-27-13-10-20(11-14-27)28-22(9-12-25-28)26-23(29)17-6-4-7-19(24)15-17/h2-9,12,15,20H,10-11,13-14,16H2,1H3,(H,26,29)
InChIKeyHKXVPMJSONJXAJ-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.12
Rot. Bonds6

About 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 42557240) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID42557240
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccccc1CN1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C23H25FN4O2/c1-30-21-8-3-2-5-18(21)16-27-13-10-20(11-14-27)28-22(9-12-25-28)26-23(29)17-6-4-7-19(24)15-17/h2-9,12,15,20H,10-11,13-14,16H2,1H3,(H,26,29)
InChIKeyHKXVPMJSONJXAJ-UHFFFAOYSA-N
XLogP4.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 42557240) is 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccccc1CN1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is HKXVPMJSONJXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-30-21-8-3-2-5-18(21)16-27-13-10-20(11-14-27)28-22(9-12-25-28)26-23(29)17-6-4-7-19(24)15-17/h2-9,12,15,20H,10-11,13-14,16H2,1H3,(H,26,29).
What are the key properties of 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 408.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 42557240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).