N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

C20H23N3O4 — CID 72859374

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C20H23N3O4/c24-20(22-16-3-4-18-19(12-16)26-11-10-25-18)23-8-5-17(6-9-23)27-14-15-2-1-7-21-13-15/h1-4,7,12-13,17H,5-6,8-11,14H2,(H,22,24)
InChIKeyNGJUTILKRFIGOI-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.07
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide (PubChem CID 72859374) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
PubChem CID72859374
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C20H23N3O4/c24-20(22-16-3-4-18-19(12-16)26-11-10-25-18)23-8-5-17(6-9-23)27-14-15-2-1-7-21-13-15/h1-4,7,12-13,17H,5-6,8-11,14H2,(H,22,24)
InChIKeyNGJUTILKRFIGOI-UHFFFAOYSA-N
XLogP3.07
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1,3-benzodioxol-5-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid
CID 97211190
N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 125443225
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetamide
CID 171704634
N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 125447753
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95345095
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 42111913
(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131927908
N-(1,3-benzothiazol-5-yl)-3-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 72904604
N-(1,3-benzodioxol-5-yl)-4-methoxypiperidine-1-carboxamide
CID 47136087
3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70773170
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
(2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide
CID 97105209

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide (CID 72859374) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
The InChIKey is NGJUTILKRFIGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-20(22-16-3-4-18-19(12-16)26-11-10-25-18)23-8-5-17(6-9-23)27-14-15-2-1-7-21-13-15/h1-4,7,12-13,17H,5-6,8-11,14H2,(H,22,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 72859374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).