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

C24H31N3O2 — CID 70675174

IUPACN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
SMILESN#CCC(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C24H31N3O2/c25-13-9-24(28)26-20-7-5-18(6-8-20)10-14-27-15-11-19(12-16-27)22-17-29-23-4-2-1-3-21(22)23/h1-4,17-20H,5-12,14-16H2,(H,26,28)
InChIKeyBKYLOINGTUMEIT-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.59
Rot. Bonds6

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

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide (PubChem CID 70675174) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
PubChem CID70675174
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide
SMILESN#CCC(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C24H31N3O2/c25-13-9-24(28)26-20-7-5-18(6-8-20)10-14-27-15-11-19(12-16-27)22-17-29-23-4-2-1-3-21(22)23/h1-4,17-20H,5-12,14-16H2,(H,26,28)
InChIKeyBKYLOINGTUMEIT-UHFFFAOYSA-N
XLogP4.59
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.59
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]-2-cyanoacetamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide (CID 70675174) is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide is N#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]-2-cyanoacetamide?
The InChIKey is BKYLOINGTUMEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c25-13-9-24(28)26-20-7-5-18(6-8-20)10-14-27-15-11-19(12-16-27)22-17-29-23-4-2-1-3-21(22)23/h1-4,17-20H,5-12,14-16H2,(H,26,28).
What are the key properties of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide?
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyanoacetamide has a molecular weight of 393.53 g/mol, XLogP of 4.59, 6 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]-2-cyanoacetamide is sourced from PubChem (CID 70675174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).