N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide

C33H37N3O2 — CID 70675487

IUPACN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide
SMILESO=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C33H37N3O2/c37-33(27-11-9-25(10-12-27)28-4-3-18-34-22-28)35-29-13-7-24(8-14-29)15-19-36-20-16-26(17-21-36)31-23-38-32-6-2-1-5-30(31)32/h1-6,9-12,18,22-24,26,29H,7-8,13-17,19-21H2,(H,35,37)
InChIKeyUAVOWOKUOJZVHZ-UHFFFAOYSA-N
MW507.68 g/mol
LogP7.05
Rot. Bonds7

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

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide (PubChem CID 70675487) has the molecular formula C33H37N3O2 and a molecular weight of 507.68 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide
PubChem CID70675487
Molecular FormulaC33H37N3O2
Molecular Weight507.68 g/mol
Exact Mass507.29
IUPAC NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide
SMILESO=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C33H37N3O2/c37-33(27-11-9-25(10-12-27)28-4-3-18-34-22-28)35-29-13-7-24(8-14-29)15-19-36-20-16-26(17-21-36)31-23-38-32-6-2-1-5-30(31)32/h1-6,9-12,18,22-24,26,29H,7-8,13-17,19-21H2,(H,35,37)
InChIKeyUAVOWOKUOJZVHZ-UHFFFAOYSA-N
XLogP7.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.68
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide (CID 70675487) is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide is O=C(NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide?
The InChIKey is UAVOWOKUOJZVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O2/c37-33(27-11-9-25(10-12-27)28-4-3-18-34-22-28)35-29-13-7-24(8-14-29)15-19-36-20-16-26(17-21-36)31-23-38-32-6-2-1-5-30(31)32/h1-6,9-12,18,22-24,26,29H,7-8,13-17,19-21H2,(H,35,37).
What are the key properties of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide?
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide has a molecular weight of 507.68 g/mol, XLogP of 7.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide is sourced from PubChem (CID 70675487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).