N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

C24H26N6O3 — CID 42592754

IUPACN-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2cccc3nonc23)CC1
InChIInChI=1S/C24H26N6O3/c31-23(12-16-32-20-6-2-1-3-7-20)26-22-9-13-25-30(22)19-10-14-29(15-11-19)17-18-5-4-8-21-24(18)28-33-27-21/h1-9,13,19H,10-12,14-17H2,(H,26,31)
InChIKeyRCSGVKVNEMJYPD-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.66
Rot. Bonds8

About N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide

N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (PubChem CID 42592754) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
PubChem CID42592754
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2cccc3nonc23)CC1
InChIInChI=1S/C24H26N6O3/c31-23(12-16-32-20-6-2-1-3-7-20)26-22-9-13-25-30(22)19-10-14-29(15-11-19)17-18-5-4-8-21-24(18)28-33-27-21/h1-9,13,19H,10-12,14-17H2,(H,26,31)
InChIKeyRCSGVKVNEMJYPD-UHFFFAOYSA-N
XLogP3.66
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
CID 24817380
N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24790063
N-[2-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 56756448
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24791036
N-[2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 25492362
N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 25455004
N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 25369393
N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72862145
3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42155853
N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 26404364
N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 42287752
N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide (CID 42592754) is N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)Nc1ccnn1C1CCN(Cc2cccc3nonc23)CC1.
What is the InChIKey of N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
The InChIKey is RCSGVKVNEMJYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c31-23(12-16-32-20-6-2-1-3-7-20)26-22-9-13-25-30(22)19-10-14-29(15-11-19)17-18-5-4-8-21-24(18)28-33-27-21/h1-9,13,19H,10-12,14-17H2,(H,26,31).
What are the key properties of N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide?
N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide has a molecular weight of 446.51 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,1,3-benzoxadiazol-4-ylmethyl)piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide is sourced from PubChem (CID 42592754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).