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

C27H40N2O2 — CID 70673916

IUPACN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C27H40N2O2/c1-20(2)7-12-27(30)28-23-10-8-21(9-11-23)13-16-29-17-14-22(15-18-29)25-19-31-26-6-4-3-5-24(25)26/h3-6,19-23H,7-18H2,1-2H3,(H,28,30)
InChIKeyDBHSOMRLOFZXDC-UHFFFAOYSA-N
MW424.63 g/mol
LogP6.11
Rot. Bonds8

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

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide (PubChem CID 70673916) has the molecular formula C27H40N2O2 and a molecular weight of 424.63 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide
PubChem CID70673916
Molecular FormulaC27H40N2O2
Molecular Weight424.63 g/mol
Exact Mass424.31
IUPAC NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C27H40N2O2/c1-20(2)7-12-27(30)28-23-10-8-21(9-11-23)13-16-29-17-14-22(15-18-29)25-19-31-26-6-4-3-5-24(25)26/h3-6,19-23H,7-18H2,1-2H3,(H,28,30)
InChIKeyDBHSOMRLOFZXDC-UHFFFAOYSA-N
XLogP6.11
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.63
LogP ≤ 56.11
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-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide (CID 70673916) is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide is CC(C)CCC(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide?
The InChIKey is DBHSOMRLOFZXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O2/c1-20(2)7-12-27(30)28-23-10-8-21(9-11-23)13-16-29-17-14-22(15-18-29)25-19-31-26-6-4-3-5-24(25)26/h3-6,19-23H,7-18H2,1-2H3,(H,28,30).
What are the key properties of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide?
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylpentanamide has a molecular weight of 424.63 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 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-methylpentanamide is sourced from PubChem (CID 70673916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).