4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide

C29H36N2O3 — CID 58199268

IUPAC4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccc(-c2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)cc1
InChIInChI=1S/C29H36N2O3/c32-28(30-25-11-18-33-19-12-25)22-6-4-21(5-7-22)23-8-9-27-24(20-23)10-13-29(34-27)14-16-31(17-15-29)26-2-1-3-26/h4-9,20,25-26H,1-3,10-19H2,(H,30,32)
InChIKeyZPASCRTYCXFBGO-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.97
Rot. Bonds4

About 4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide

4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide (PubChem CID 58199268) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is 4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide
PubChem CID58199268
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC Name4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide
SMILESO=C(NC1CCOCC1)c1ccc(-c2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)cc1
InChIInChI=1S/C29H36N2O3/c32-28(30-25-11-18-33-19-12-25)22-6-4-21(5-7-22)23-8-9-27-24(20-23)10-13-29(34-27)14-16-31(17-15-29)26-2-1-3-26/h4-9,20,25-26H,1-3,10-19H2,(H,30,32)
InChIKeyZPASCRTYCXFBGO-UHFFFAOYSA-N
XLogP4.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide?
The IUPAC name of 4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide (CID 58199268) is 4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide?
The canonical SMILES for 4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide is O=C(NC1CCOCC1)c1ccc(-c2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)cc1.
What is the InChIKey of 4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide?
The InChIKey is ZPASCRTYCXFBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3/c32-28(30-25-11-18-33-19-12-25)22-6-4-21(5-7-22)23-8-9-27-24(20-23)10-13-29(34-27)14-16-31(17-15-29)26-2-1-3-26/h4-9,20,25-26H,1-3,10-19H2,(H,30,32).
What are the key properties of 4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide?
4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide has a molecular weight of 460.62 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 58199268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).