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

C25H36N2O2 — CID 57384161

IUPACN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CC1
InChIInChI=1S/C25H36N2O2/c28-25(20-6-7-20)26-21-8-4-18(5-9-21)10-14-27-15-11-19(12-16-27)22-2-1-3-24-23(22)13-17-29-24/h1-3,18-21H,4-17H2,(H,26,28)
InChIKeyAYPVCAPOVVHYNK-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.28
Rot. Bonds6

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

N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide (PubChem CID 57384161) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
PubChem CID57384161
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC NameN-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
SMILESO=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CC1
InChIInChI=1S/C25H36N2O2/c28-25(20-6-7-20)26-21-8-4-18(5-9-21)10-14-27-15-11-19(12-16-27)22-2-1-3-24-23(22)13-17-29-24/h1-3,18-21H,4-17H2,(H,26,28)
InChIKeyAYPVCAPOVVHYNK-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide (CID 57384161) is N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide is O=C(NC1CCC(CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CC1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
The InChIKey is AYPVCAPOVVHYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c28-25(20-6-7-20)26-21-8-4-18(5-9-21)10-14-27-15-11-19(12-16-27)22-2-1-3-24-23(22)13-17-29-24/h1-3,18-21H,4-17H2,(H,26,28).
What are the key properties of N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide has a molecular weight of 396.58 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 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]cyclopropanecarboxamide is sourced from PubChem (CID 57384161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).