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

C33H39N3O2 — CID 57386964

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C33H39N3O2/c37-33(27-10-8-25(9-11-27)28-3-2-18-34-23-28)35-29-12-6-24(7-13-29)14-19-36-20-15-26(16-21-36)30-4-1-5-32-31(30)17-22-38-32/h1-5,8-11,18,23-24,26,29H,6-7,12-17,19-22H2,(H,35,37)
InChIKeyMOHZYINNROZMOQ-UHFFFAOYSA-N
MW509.69 g/mol
LogP6.24
Rot. Bonds7

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

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide (PubChem CID 57386964) has the molecular formula C33H39N3O2 and a molecular weight of 509.69 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide
PubChem CID57386964
Molecular FormulaC33H39N3O2
Molecular Weight509.69 g/mol
Exact Mass509.30
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C33H39N3O2/c37-33(27-10-8-25(9-11-27)28-3-2-18-34-23-28)35-29-12-6-24(7-13-29)14-19-36-20-15-26(16-21-36)30-4-1-5-32-31(30)17-22-38-32/h1-5,8-11,18,23-24,26,29H,6-7,12-17,19-22H2,(H,35,37)
InChIKeyMOHZYINNROZMOQ-UHFFFAOYSA-N
XLogP6.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.69
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide 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 N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide (CID 57386964) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide is O=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide?
The InChIKey is MOHZYINNROZMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O2/c37-33(27-10-8-25(9-11-27)28-3-2-18-34-23-28)35-29-12-6-24(7-13-29)14-19-36-20-15-26(16-21-36)30-4-1-5-32-31(30)17-22-38-32/h1-5,8-11,18,23-24,26,29H,6-7,12-17,19-22H2,(H,35,37).
What are the key properties of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide has a molecular weight of 509.69 g/mol, XLogP of 6.24, 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-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyridin-3-ylbenzamide is sourced from PubChem (CID 57386964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).