4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide

C28H35N3O2 — CID 89137865

IUPAC4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide
SMILESNc1ccc(C(=O)NC2CCC(CCN3CCC(c4coc5ccccc45)CC3)CC2)cc1
InChIInChI=1S/C28H35N3O2/c29-23-9-7-22(8-10-23)28(32)30-24-11-5-20(6-12-24)13-16-31-17-14-21(15-18-31)26-19-33-27-4-2-1-3-25(26)27/h1-4,7-10,19-21,24H,5-6,11-18,29H2,(H,30,32)
InChIKeyFWKVBVZHUSQKJV-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.57
Rot. Bonds6

About 4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide

4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide (PubChem CID 89137865) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide
PubChem CID89137865
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide
SMILESNc1ccc(C(=O)NC2CCC(CCN3CCC(c4coc5ccccc45)CC3)CC2)cc1
InChIInChI=1S/C28H35N3O2/c29-23-9-7-22(8-10-23)28(32)30-24-11-5-20(6-12-24)13-16-31-17-14-21(15-18-31)26-19-33-27-4-2-1-3-25(26)27/h1-4,7-10,19-21,24H,5-6,11-18,29H2,(H,30,32)
InChIKeyFWKVBVZHUSQKJV-UHFFFAOYSA-N
XLogP5.57
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
The IUPAC name of 4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide (CID 89137865) is 4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
The canonical SMILES for 4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide is Nc1ccc(C(=O)NC2CCC(CCN3CCC(c4coc5ccccc45)CC3)CC2)cc1.
What is the InChIKey of 4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
The InChIKey is FWKVBVZHUSQKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c29-23-9-7-22(8-10-23)28(32)30-24-11-5-20(6-12-24)13-16-31-17-14-21(15-18-31)26-19-33-27-4-2-1-3-25(26)27/h1-4,7-10,19-21,24H,5-6,11-18,29H2,(H,30,32).
What are the key properties of 4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide?
4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide has a molecular weight of 445.61 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide is sourced from PubChem (CID 89137865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).