1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol

C26H29N3O2 — CID 45197305

IUPAC1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)C1CCN(Cc2cn[nH]c2-c2cc3ccccc3o2)CC1
InChIInChI=1S/C26H29N3O2/c30-23(11-10-19-6-2-1-3-7-19)20-12-14-29(15-13-20)18-22-17-27-28-26(22)25-16-21-8-4-5-9-24(21)31-25/h1-9,16-17,20,23,30H,10-15,18H2,(H,27,28)
InChIKeyWKCRLCYXNQJOKA-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.03
Rot. Bonds7

About 1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol

1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol (PubChem CID 45197305) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol
PubChem CID45197305
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol
SMILESOC(CCc1ccccc1)C1CCN(Cc2cn[nH]c2-c2cc3ccccc3o2)CC1
InChIInChI=1S/C26H29N3O2/c30-23(11-10-19-6-2-1-3-7-19)20-12-14-29(15-13-20)18-22-17-27-28-26(22)25-16-21-8-4-5-9-24(21)31-25/h1-9,16-17,20,23,30H,10-15,18H2,(H,27,28)
InChIKeyWKCRLCYXNQJOKA-UHFFFAOYSA-N
XLogP5.03
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol with MolForge

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Related Compounds

[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 45220394
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine
CID 47611512
ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate
CID 42527129
2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134696518
4-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 56891630
1H-imidazol-2-yl-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]methanol
CID 167890120
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772872
1-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 134697917
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 166180902
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
2-[[4-[(1S)-1-hydroxy-3-phenylpropyl]piperidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 164642023
1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 86808888

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol?
The IUPAC name of 1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol (CID 45197305) is 1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for 1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol?
The canonical SMILES for 1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol is OC(CCc1ccccc1)C1CCN(Cc2cn[nH]c2-c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol?
The InChIKey is WKCRLCYXNQJOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-23(11-10-19-6-2-1-3-7-19)20-12-14-29(15-13-20)18-22-17-27-28-26(22)25-16-21-8-4-5-9-24(21)31-25/h1-9,16-17,20,23,30H,10-15,18H2,(H,27,28).
What are the key properties of 1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol?
1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol has a molecular weight of 415.54 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 45197305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).