1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone

C28H29N3O5 — CID 69112784

IUPAC1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)C1CNCCC1NCC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C28H29N3O5/c32-18(15-34-25-7-3-6-23-27(25)19-4-1-2-5-22(19)31-23)13-30-21-10-11-29-14-20(21)28(33)17-8-9-24-26(12-17)36-16-35-24/h1-9,12,18,20-21,29-32H,10-11,13-16H2
InChIKeyLGWAXFXZWKHMDP-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.24
Rot. Bonds8

About 1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone

1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone (PubChem CID 69112784) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone
PubChem CID69112784
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC Name1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)C1CNCCC1NCC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C28H29N3O5/c32-18(15-34-25-7-3-6-23-27(25)19-4-1-2-5-22(19)31-23)13-30-21-10-11-29-14-20(21)28(33)17-8-9-24-26(12-17)36-16-35-24/h1-9,12,18,20-21,29-32H,10-11,13-16H2
InChIKeyLGWAXFXZWKHMDP-UHFFFAOYSA-N
XLogP3.24
TPSA104.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
(2S)-1-(9H-carbazol-4-yloxy)-3-(1-piperidin-4-ylhexadecylamino)propan-2-ol
CID 70001402
1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride
CID 162640454
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
(2S)-1-(9H-carbazol-4-yloxy)-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propan-2-ol
CID 10230721
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585
1-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]phenyl]-3-(4-nitrophenyl)prop-2-en-1-one
CID 168806088
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
CID 11419372
2-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]guanidine
CID 162659566
N-[(3-methylpiperidin-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 114699978
N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone (CID 69112784) is 1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone is O=C(c1ccc2c(c1)OCO2)C1CNCCC1NCC(O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone?
The InChIKey is LGWAXFXZWKHMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c32-18(15-34-25-7-3-6-23-27(25)19-4-1-2-5-22(19)31-23)13-30-21-10-11-29-14-20(21)28(33)17-8-9-24-26(12-17)36-16-35-24/h1-9,12,18,20-21,29-32H,10-11,13-16H2.
What are the key properties of 1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone?
1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone has a molecular weight of 487.56 g/mol, XLogP of 3.24, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]piperidin-3-yl]methanone is sourced from PubChem (CID 69112784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).