N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide

C21H28N4O2 — CID 130376875

IUPACN-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cnn(C2CCN(C(C)c3ccc4c(c3)OCC4)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-15(19-4-3-18-7-10-27-21(18)11-19)24-8-5-20(6-9-24)25-14-17(13-23-25)12-22-16(2)26/h3-4,11,13-15,20H,5-10,12H2,1-2H3,(H,22,26)
InChIKeyXQOOWQOLEVUVAU-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.85
Rot. Bonds5

About N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide

N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide (PubChem CID 130376875) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide
PubChem CID130376875
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cnn(C2CCN(C(C)c3ccc4c(c3)OCC4)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-15(19-4-3-18-7-10-27-21(18)11-19)24-8-5-20(6-9-24)25-14-17(13-23-25)12-22-16(2)26/h3-4,11,13-15,20H,5-10,12H2,1-2H3,(H,22,26)
InChIKeyXQOOWQOLEVUVAU-UHFFFAOYSA-N
XLogP2.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide (CID 130376875) is N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide is CC(=O)NCc1cnn(C2CCN(C(C)c3ccc4c(c3)OCC4)CC2)c1.
What is the InChIKey of N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide?
The InChIKey is XQOOWQOLEVUVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(19-4-3-18-7-10-27-21(18)11-19)24-8-5-20(6-9-24)25-14-17(13-23-25)12-22-16(2)26/h3-4,11,13-15,20H,5-10,12H2,1-2H3,(H,22,26).
What are the key properties of N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide?
N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperidin-4-yl]pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 130376875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).