4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol

C24H29N3O2 — CID 145136125

IUPAC4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol
SMILESCCc1cncc(-c2cc3ccccc3o2)c1/C=C(\C)CN1CCC(N)C(O)C1
InChIInChI=1S/C24H29N3O2/c1-3-17-12-26-13-20(24-11-18-6-4-5-7-23(18)29-24)19(17)10-16(2)14-27-9-8-21(25)22(28)15-27/h4-7,10-13,21-22,28H,3,8-9,14-15,25H2,1-2H3/b16-10+
InChIKeyZENRYAOUYGYPOQ-MHWRWJLKSA-N
MW391.52 g/mol
LogP3.85
Rot. Bonds5

About 4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol

4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol (PubChem CID 145136125) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol.

Molecular Properties

Compound Name4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol
PubChem CID145136125
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol
SMILESCCc1cncc(-c2cc3ccccc3o2)c1/C=C(\C)CN1CCC(N)C(O)C1
InChIInChI=1S/C24H29N3O2/c1-3-17-12-26-13-20(24-11-18-6-4-5-7-23(18)29-24)19(17)10-16(2)14-27-9-8-21(25)22(28)15-27/h4-7,10-13,21-22,28H,3,8-9,14-15,25H2,1-2H3/b16-10+
InChIKeyZENRYAOUYGYPOQ-MHWRWJLKSA-N
XLogP3.85
TPSA75.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol?
The IUPAC name of 4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol (CID 145136125) is 4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol.
What is the SMILES notation for 4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol?
The canonical SMILES for 4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol is CCc1cncc(-c2cc3ccccc3o2)c1/C=C(\C)CN1CCC(N)C(O)C1.
What is the InChIKey of 4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol?
The InChIKey is ZENRYAOUYGYPOQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-17-12-26-13-20(24-11-18-6-4-5-7-23(18)29-24)19(17)10-16(2)14-27-9-8-21(25)22(28)15-27/h4-7,10-13,21-22,28H,3,8-9,14-15,25H2,1-2H3/b16-10+.
What are the key properties of 4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol?
4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol has a molecular weight of 391.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(E)-3-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-2-methylprop-2-enyl]piperidin-3-ol is sourced from PubChem (CID 145136125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).