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

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

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Launch Full Analysis

Related Compounds

(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]-N-(cyclohexylmethyl)prop-1-en-2-amine
CID 145136106
N-[(E)-1-[3-(1-benzofuran-2-yl)-5-ethyl-4-pyridinyl]prop-1-en-2-yl]cyclohexanecarboxamide
CID 145136245
(3R,4R)-4-amino-1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-3-ol;(3R,4R)-4-azido-1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-3-ol
CID 159878532
1-[[4-(1-benzofuran-2-yl)-8-nitroisoquinolin-6-yl]methyl]piperidin-4-amine
CID 122457656
[1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-4-yl]carbamic acid
CID 122457727
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine
CID 47611512
6-[[(3S,4R)-4-azido-3-methoxypiperidin-1-yl]methyl]-4-(1-benzofuran-2-yl)isoquinoline;(3S,4R)-1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-3-methoxypiperidin-4-amine
CID 159289260
ethyl (2S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine-2-carboxylate
CID 42527129
1-[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-phenylpropan-1-ol
CID 45197305
4-amino-N-[4-(1-benzofuran-2-yl)isoquinolin-6-yl]cyclohexane-1-carboxamide
CID 122495279
tert-butyl 2-[1-[[4-(1-benzofuran-2-yl)-7-nitroisoquinolin-6-yl]methyl]piperidin-4-yl]acetate
CID 159987165
[1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 45220394

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).