[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone

C28H30N2O4 — CID 46889853

IUPAC[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1
InChIInChI=1S/C28H30N2O4/c1-33-22-11-9-19(10-12-22)28(32)20-13-15-30(16-14-20)17-21(31)18-34-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,20-21,29,31H,13-18H2,1H3
InChIKeyNRJOGQSIFAHXIH-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.66
Rot. Bonds8

About [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 46889853) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID46889853
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Name[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1
InChIInChI=1S/C28H30N2O4/c1-33-22-11-9-19(10-12-22)28(32)20-13-15-30(16-14-20)17-21(31)18-34-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,20-21,29,31H,13-18H2,1H3
InChIKeyNRJOGQSIFAHXIH-UHFFFAOYSA-N
XLogP4.66
TPSA74.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 46889853) is [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1.
What is the InChIKey of [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is NRJOGQSIFAHXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-33-22-11-9-19(10-12-22)28(32)20-13-15-30(16-14-20)17-21(31)18-34-26-8-4-7-25-27(26)23-5-2-3-6-24(23)29-25/h2-12,20-21,29,31H,13-18H2,1H3.
What are the key properties of [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 458.56 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 46889853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).