4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine

C23H32N4O2 — CID 129477125

IUPAC4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
SMILESc1cc2c(cc1CCN1CCC[C@H](c3[nH]ncc3CN3CCOCC3)C1)CCO2
InChIInChI=1S/C23H32N4O2/c1-2-20(23-21(15-24-25-23)17-27-9-12-28-13-10-27)16-26(7-1)8-5-18-3-4-22-19(14-18)6-11-29-22/h3-4,14-15,20H,1-2,5-13,16-17H2,(H,24,25)/t20-/m0/s1
InChIKeyHCVKBSHAVPIZON-FQEVSTJZSA-N
MW396.54 g/mol
LogP2.60
Rot. Bonds6

About 4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine

4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine (PubChem CID 129477125) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
PubChem CID129477125
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine
SMILESc1cc2c(cc1CCN1CCC[C@H](c3[nH]ncc3CN3CCOCC3)C1)CCO2
InChIInChI=1S/C23H32N4O2/c1-2-20(23-21(15-24-25-23)17-27-9-12-28-13-10-27)16-26(7-1)8-5-18-3-4-22-19(14-18)6-11-29-22/h3-4,14-15,20H,1-2,5-13,16-17H2,(H,24,25)/t20-/m0/s1
InChIKeyHCVKBSHAVPIZON-FQEVSTJZSA-N
XLogP2.60
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine (CID 129477125) is 4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine is c1cc2c(cc1CCN1CCC[C@H](c3[nH]ncc3CN3CCOCC3)C1)CCO2.
What is the InChIKey of 4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
The InChIKey is HCVKBSHAVPIZON-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-2-20(23-21(15-24-25-23)17-27-9-12-28-13-10-27)16-26(7-1)8-5-18-3-4-22-19(14-18)6-11-29-22/h3-4,14-15,20H,1-2,5-13,16-17H2,(H,24,25)/t20-/m0/s1.
What are the key properties of 4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine?
4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine has a molecular weight of 396.54 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]methyl]morpholine is sourced from PubChem (CID 129477125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).