N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

C25H27FN4O3 — CID 45250856

IUPACN-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCC(Cc1ccccc1F)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C25H27FN4O3/c1-17(14-18-4-2-3-5-21(18)26)29-12-9-20(10-13-29)30-24(8-11-27-30)28-25(31)19-6-7-22-23(15-19)33-16-32-22/h2-8,11,15,17,20H,9-10,12-14,16H2,1H3,(H,28,31)
InChIKeyFMEXBNWECBLKEB-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.27
Rot. Bonds6

About N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 45250856) has the molecular formula C25H27FN4O3 and a molecular weight of 450.51 g/mol. Its IUPAC name is N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID45250856
Molecular FormulaC25H27FN4O3
Molecular Weight450.51 g/mol
Exact Mass450.21
IUPAC NameN-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESCC(Cc1ccccc1F)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C25H27FN4O3/c1-17(14-18-4-2-3-5-21(18)26)29-12-9-20(10-13-29)30-24(8-11-27-30)28-25(31)19-6-7-22-23(15-19)33-16-32-22/h2-8,11,15,17,20H,9-10,12-14,16H2,1H3,(H,28,31)
InChIKeyFMEXBNWECBLKEB-UHFFFAOYSA-N
XLogP4.27
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 42401439
N-[2-[1-(2-oxo-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 25478772
N-[2-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 25461156
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 24790682
N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 42392495
N-[2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 56740279
N-[2-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 25292419
N-[2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 56738776
N-[2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 29028621
N-[2-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 42289035
N-[2-[1-(spiro[2.5]octane-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 45190290
4-methoxy-N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25379021

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 45250856) is N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is CC(Cc1ccccc1F)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is FMEXBNWECBLKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3/c1-17(14-18-4-2-3-5-21(18)26)29-12-9-20(10-13-29)30-24(8-11-27-30)28-25(31)19-6-7-22-23(15-19)33-16-32-22/h2-8,11,15,17,20H,9-10,12-14,16H2,1H3,(H,28,31).
What are the key properties of N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 450.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 45250856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).