4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide

C26H34N2O3 — CID 90895678

IUPAC4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(C)(C)C)CC2)O3)cc1
InChIInChI=1S/C26H34N2O3/c1-5-27-24(29)19-8-6-18(7-9-19)21-10-11-23-22(16-21)17-30-25(31-23)20-12-14-28(15-13-20)26(2,3)4/h6-11,16,20,25H,5,12-15,17H2,1-4H3,(H,27,29)
InChIKeyIVPQEZYZBSWAON-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.85
Rot. Bonds4

About 4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide

4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide (PubChem CID 90895678) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide
PubChem CID90895678
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(C)(C)C)CC2)O3)cc1
InChIInChI=1S/C26H34N2O3/c1-5-27-24(29)19-8-6-18(7-9-19)21-10-11-23-22(16-21)17-30-25(31-23)20-12-14-28(15-13-20)26(2,3)4/h6-11,16,20,25H,5,12-15,17H2,1-4H3,(H,27,29)
InChIKeyIVPQEZYZBSWAON-UHFFFAOYSA-N
XLogP4.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(R)-N,N-diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 44254057
(+/-)-N,N-Diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 11337925
N,N-Diethyl-4-(spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 11428837
N,N-Diethyl-3-(spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 25129437
N,N-Diethyl-2-methyl-4-(spiro[chromene-2,4''-piperidine]-4-yl)-benzamide
CID 44254062
N,N-Diethyl-3-methyl-4-(spiro[chromene-2,4''-piperidine]-4-yl)-benzamide
CID 44254063
N-Isobutyl-4-(spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 44254504
N,N-Diisopropyl-4-(spiro[chromene-2,4''-piperidine]-4-yl)benzamide
CID 44254954
(S)-N,N-diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 44255042
N-cyclohexyl-6-(1-isopropylpiperidin-4-yloxy)-2-naphthamide
CID 44578637
7-[3-methyl-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 134132865
4-[4-[3-(diethylamino)propoxy]phenyl]-N-propan-2-ylbenzamide
CID 44275528

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide?
The IUPAC name of 4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide (CID 90895678) is 4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide.
What is the SMILES notation for 4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide?
The canonical SMILES for 4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide is CCNC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(C)(C)C)CC2)O3)cc1.
What is the InChIKey of 4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide?
The InChIKey is IVPQEZYZBSWAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-5-27-24(29)19-8-6-18(7-9-19)21-10-11-23-22(16-21)17-30-25(31-23)20-12-14-28(15-13-20)26(2,3)4/h6-11,16,20,25H,5,12-15,17H2,1-4H3,(H,27,29).
What are the key properties of 4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide?
4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide has a molecular weight of 422.57 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-tert-butylpiperidin-4-yl)-4H-1,3-benzodioxin-6-yl]-N-ethylbenzamide is sourced from PubChem (CID 90895678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).