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

C25H28N4O4 — CID 42401439

IUPACN-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@H](COc1ccccc1)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C25H28N4O4/c1-18(16-31-21-5-3-2-4-6-21)28-13-10-20(11-14-28)29-24(9-12-26-29)27-25(30)19-7-8-22-23(15-19)33-17-32-22/h2-9,12,15,18,20H,10-11,13-14,16-17H2,1H3,(H,27,30)/t18-/m1/s1
InChIKeyMEOXHABTLFAPBN-GOSISDBHSA-N
MW448.52 g/mol
LogP3.97
Rot. Bonds7

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

N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42401439) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID42401439
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@H](COc1ccccc1)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C25H28N4O4/c1-18(16-31-21-5-3-2-4-6-21)28-13-10-20(11-14-28)29-24(9-12-26-29)27-25(30)19-7-8-22-23(15-19)33-17-32-22/h2-9,12,15,18,20H,10-11,13-14,16-17H2,1H3,(H,27,30)/t18-/m1/s1
InChIKeyMEOXHABTLFAPBN-GOSISDBHSA-N
XLogP3.97
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25379021
N-[2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 45250856
N-[2-[1-(2-oxo-2-phenylacetyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 25478772
1-(2-methoxyphenyl)-3-[2-[1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26336058
N-[2-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 56740279
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-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-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 25292419
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-[(2,4-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 25461156

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 42401439) is N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is C[C@H](COc1ccccc1)N1CCC(n2nccc2NC(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is MEOXHABTLFAPBN-GOSISDBHSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-18(16-31-21-5-3-2-4-6-21)28-13-10-20(11-14-28)29-24(9-12-26-29)27-25(30)19-7-8-22-23(15-19)33-17-32-22/h2-9,12,15,18,20H,10-11,13-14,16-17H2,1H3,(H,27,30)/t18-/m1/s1.
What are the key properties of N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42401439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).