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3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide

C25H33N3O3 — CID 55648424

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C25H33N3O3/c29-24(26-18-22(23-13-8-16-31-23)28-14-5-2-6-15-28)20-11-7-12-21(17-20)27-25(30)19-9-3-1-4-10-19/h7-8,11-13,16-17,19,22H,1-6,9-10,14-15,18H2,(H,26,29)(H,27,30)
InChIKeyRHCFAJXELCPXLE-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.76
Rot. Bonds7

About 3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide

3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (PubChem CID 55648424) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
PubChem CID55648424
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCCCC1)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C25H33N3O3/c29-24(26-18-22(23-13-8-16-31-23)28-14-5-2-6-15-28)20-11-7-12-21(17-20)27-25(30)19-9-3-1-4-10-19/h7-8,11-13,16-17,19,22H,1-6,9-10,14-15,18H2,(H,26,29)(H,27,30)
InChIKeyRHCFAJXELCPXLE-UHFFFAOYSA-N
XLogP4.76
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The IUPAC name of 3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide (CID 55648424) is 3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The canonical SMILES for 3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is O=C(NCC(c1ccco1)N1CCCCC1)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
The InChIKey is RHCFAJXELCPXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c29-24(26-18-22(23-13-8-16-31-23)28-14-5-2-6-15-28)20-11-7-12-21(17-20)27-25(30)19-9-3-1-4-10-19/h7-8,11-13,16-17,19,22H,1-6,9-10,14-15,18H2,(H,26,29)(H,27,30).
What are the key properties of 3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide?
3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide has a molecular weight of 423.56 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexanecarbonylamino)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide is sourced from PubChem (CID 55648424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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