[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C22H26N4O3 — CID 166233138

IUPAC[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1cc2ccccc2o1)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C22H26N4O3/c27-22(26-7-3-4-16(15-26)14-25-8-10-28-11-9-25)18-13-23-24-21(18)20-12-17-5-1-2-6-19(17)29-20/h1-2,5-6,12-13,16H,3-4,7-11,14-15H2,(H,23,24)
InChIKeyJTZVLZILCKADTH-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.01
Rot. Bonds4

About [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 166233138) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID166233138
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1cc2ccccc2o1)N1CCCC(CN2CCOCC2)C1
InChIInChI=1S/C22H26N4O3/c27-22(26-7-3-4-16(15-26)14-25-8-10-28-11-9-25)18-13-23-24-21(18)20-12-17-5-1-2-6-19(17)29-20/h1-2,5-6,12-13,16H,3-4,7-11,14-15H2,(H,23,24)
InChIKeyJTZVLZILCKADTH-UHFFFAOYSA-N
XLogP3.01
TPSA74.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126800553
[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 154840813
[3-(methylaminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119395429
[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 45174429
[(3R,4R)-3-(hydroxymethyl)-4-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 70720688
2-hydroxy-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 111464634
(2,3-dimethyl-5-methylsulfonylphenyl)-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 154755820
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126809350
2-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]benzonitrile
CID 90648862
(2-methyl-1-benzofuran-7-yl)-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 70720889
[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 136586354
5-(1-benzofuran-2-yl)-N-(1-oxaspiro[5.5]undecan-4-yl)-1H-pyrazole-4-carboxamide
CID 127984240

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 166233138) is [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is O=C(c1cn[nH]c1-c1cc2ccccc2o1)N1CCCC(CN2CCOCC2)C1.
What is the InChIKey of [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is JTZVLZILCKADTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-22(26-7-3-4-16(15-26)14-25-8-10-28-11-9-25)18-13-23-24-21(18)20-12-17-5-1-2-6-19(17)29-20/h1-2,5-6,12-13,16H,3-4,7-11,14-15H2,(H,23,24).
What are the key properties of [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 394.48 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 166233138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).