1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone

C26H28N4O3 — CID 16730970

IUPAC1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C26H28N4O3/c31-20(17-29-11-13-30(14-12-29)25(32)15-19-5-4-10-27-16-19)18-33-24-9-3-8-23-26(24)21-6-1-2-7-22(21)28-23/h1-10,16,20,28,31H,11-15,17-18H2
InChIKeyACOIBWVKPSUXDQ-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.84
Rot. Bonds7

About 1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone

1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 16730970) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone
PubChem CID16730970
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
InChIInChI=1S/C26H28N4O3/c31-20(17-29-11-13-30(14-12-29)25(32)15-19-5-4-10-27-16-19)18-33-24-9-3-8-23-26(24)21-6-1-2-7-22(21)28-23/h1-10,16,20,28,31H,11-15,17-18H2
InChIKeyACOIBWVKPSUXDQ-UHFFFAOYSA-N
XLogP2.84
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 16730886
1-(9H-carbazol-4-yloxy)-3-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 16730732
1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 74322819
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
2-[[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
CID 46889670
2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 75507878
N-(1,7-diphenylheptan-4-yl)-3-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-3-oxopropanamide
CID 20622404
[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 10791379
hydron;1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-2-phenoxyethanone;chloride
CID 649806
2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
CID 62691390
1-[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]-4-(2,3,4,5,6-pentafluorophenyl)piperazin-2-yl]ethanone
CID 16730966

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone (CID 16730970) is 1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1.
What is the InChIKey of 1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is ACOIBWVKPSUXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c31-20(17-29-11-13-30(14-12-29)25(32)15-19-5-4-10-27-16-19)18-33-24-9-3-8-23-26(24)21-6-1-2-7-22(21)28-23/h1-10,16,20,28,31H,11-15,17-18H2.
What are the key properties of 1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone?
1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 444.54 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 16730970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).