N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide

C22H24N2O2 — CID 11382472

IUPACN-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
SMILESCCNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C22H24N2O2/c1-2-24-21(25)17-9-7-16(8-10-17)19-15-22(11-13-23-14-12-22)26-20-6-4-3-5-18(19)20/h3-10,15,23H,2,11-14H2,1H3,(H,24,25)
InChIKeyFXFKPMGUMYHNAD-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.38
Rot. Bonds3

About N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide

N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide (PubChem CID 11382472) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
PubChem CID11382472
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide
SMILESCCNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1
InChIInChI=1S/C22H24N2O2/c1-2-24-21(25)17-9-7-16(8-10-17)19-15-22(11-13-23-14-12-22)26-20-6-4-3-5-18(19)20/h3-10,15,23H,2,11-14H2,1H3,(H,24,25)
InChIKeyFXFKPMGUMYHNAD-UHFFFAOYSA-N
XLogP3.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Adl-5859
CID 11417954
PF-429242
CID 23661637
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CID 746156
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
N-(4-methoxyphenethyl)benzamide
CID 3083797
Adl-5747
CID 76967747
N-(4-methoxybenzyl)[1,1'-biphenyl]-4-carboxamide
CID 710674
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
(4-((4-Ethoxyphenoxy)methyl)phenyl)(3-methylpiperidin-1-yl)methanone
CID 2942250
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485
2-{[4-Fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218486

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide?
The IUPAC name of N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide (CID 11382472) is N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide.
What is the SMILES notation for N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide?
The canonical SMILES for N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide is CCNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1.
What is the InChIKey of N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide?
The InChIKey is FXFKPMGUMYHNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-24-21(25)17-9-7-16(8-10-17)19-15-22(11-13-23-14-12-22)26-20-6-4-3-5-18(19)20/h3-10,15,23H,2,11-14H2,1H3,(H,24,25).
What are the key properties of N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide?
N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide has a molecular weight of 348.45 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide is sourced from PubChem (CID 11382472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).