4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane

C27H35N3O3 — CID 143304509

IUPAC4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane
SMILESCC.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(C(N)=O)cc32)cc1
InChIInChI=1S/C25H29N3O3.C2H6/c1-3-28(4-2)24(30)18-7-5-17(6-8-18)21-16-25(11-13-27-14-12-25)31-22-10-9-19(23(26)29)15-20(21)22;1-2/h5-10,15-16,27H,3-4,11-14H2,1-2H3,(H2,26,29);1-2H3
InChIKeyRHVNDFIVIWHPQR-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.24
Rot. Bonds5

About 4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane

4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane (PubChem CID 143304509) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane.

Molecular Properties

Compound Name4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane
PubChem CID143304509
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane
SMILESCC.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(C(N)=O)cc32)cc1
InChIInChI=1S/C25H29N3O3.C2H6/c1-3-28(4-2)24(30)18-7-5-17(6-8-18)21-16-25(11-13-27-14-12-25)31-22-10-9-19(23(26)29)15-20(21)22;1-2/h5-10,15-16,27H,3-4,11-14H2,1-2H3,(H2,26,29);1-2H3
InChIKeyRHVNDFIVIWHPQR-UHFFFAOYSA-N
XLogP4.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(diethylcarbamoyl)phenyl]-N-ethylspiro[chromene-2,4'-piperidine]-6-carboxamide
CID 59674625
4-[4-(diethylcarbamoyl)phenyl]-N,N-di(propan-2-yl)spiro[chromene-2,4'-piperidine]-6-carboxamide
CID 59674341
4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-sulfinic acid
CID 66696440
N,N-diethyl-4-(6'-methylspiro[azepane-4,2'-chromene]-4'-yl)benzamide
CID 59674324
N,N-diethyl-4-(6-heptanoylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 58423588
N,N-diethyl-4-(6'-methylsulfonylspiro[azepane-4,2'-chromene]-4'-yl)benzamide
CID 11190573
N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 59674299
CID 91318518
CID 91318518
N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 11234697
N,N-diethyl-4-[7-[1-(2-methylpropylamino)ethenyl]spiro[chromene-2,4'-piperidine]-4-yl]benzamide
CID 143642723
tert-butyl 6-acetyl-4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 59674511
4-[4-(diethylcarbamoyl)phenyl]-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-6-sulfonyl chloride;N,N-diethyl-4-[6-methyl-1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide;N,N-diethyl-4-spiro[chromene-2,4'-piperidine]-4-ylbenzamide;N,N-diethyl-4-[1'-(2,2,2-trifluoroacetyl)spiro[chromene-2,4'-piperidine]-4-yl]benzamide
CID 160734923

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane?
The IUPAC name of 4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane (CID 143304509) is 4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane.
What is the SMILES notation for 4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane?
The canonical SMILES for 4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane is CC.CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccc(C(N)=O)cc32)cc1.
What is the InChIKey of 4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane?
The InChIKey is RHVNDFIVIWHPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3.C2H6/c1-3-28(4-2)24(30)18-7-5-17(6-8-18)21-16-25(11-13-27-14-12-25)31-22-10-9-19(23(26)29)15-20(21)22;1-2/h5-10,15-16,27H,3-4,11-14H2,1-2H3,(H2,26,29);1-2H3.
What are the key properties of 4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane?
4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane has a molecular weight of 449.60 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylcarbamoyl)phenyl]spiro[chromene-2,4'-piperidine]-6-carboxamide;ethane is sourced from PubChem (CID 143304509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).