10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one

C26H33N3O2 — CID 44590277

IUPAC10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one
SMILESO=c1c2ccccc2n(CC(O)CN2CCC(N3CCCCC3)CC2)c2ccccc12
InChIInChI=1S/C26H33N3O2/c30-21(18-27-16-12-20(13-17-27)28-14-6-1-7-15-28)19-29-24-10-4-2-8-22(24)26(31)23-9-3-5-11-25(23)29/h2-5,8-11,20-21,30H,1,6-7,12-19H2
InChIKeyIFGBRQCKHUVSIA-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.47
Rot. Bonds5

About 10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one

10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one (PubChem CID 44590277) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one.

Molecular Properties

Compound Name10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one
PubChem CID44590277
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one
SMILESO=c1c2ccccc2n(CC(O)CN2CCC(N3CCCCC3)CC2)c2ccccc12
InChIInChI=1S/C26H33N3O2/c30-21(18-27-16-12-20(13-17-27)28-14-6-1-7-15-28)19-29-24-10-4-2-8-22(24)26(31)23-9-3-5-11-25(23)29/h2-5,8-11,20-21,30H,1,6-7,12-19H2
InChIKeyIFGBRQCKHUVSIA-UHFFFAOYSA-N
XLogP3.47
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 54613243
4-chloro-10-(2-hydroxy-3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 46906417
1-carbazol-9-yl-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 86879291
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
1-(azepan-1-yl)-3-carbazol-9-ylpropan-2-ol;furan-2-carboxylic acid
CID 21203909
(3S)-1-(3-carbazol-9-yl-2-hydroxypropyl)-3-methylpyrrolidin-2-one
CID 135134139
1-(2,3-dimethylindol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 2896531
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
9-(2-hydroxy-3-piperidin-1-ylpropyl)-2-methyl-3,4-dihydropyrido[3,4-b]indol-1-one
CID 3154656
1-(4-phenylpiperidin-1-yl)-3-piperidin-1-ylpropan-2-ol
CID 3030548
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2841332
1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-2-methylindole-3-carbaldehyde
CID 6502483

Frequently Asked Questions

What is the IUPAC name of 10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one?
The IUPAC name of 10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one (CID 44590277) is 10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one.
What is the SMILES notation for 10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one?
The canonical SMILES for 10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one is O=c1c2ccccc2n(CC(O)CN2CCC(N3CCCCC3)CC2)c2ccccc12.
What is the InChIKey of 10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one?
The InChIKey is IFGBRQCKHUVSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c30-21(18-27-16-12-20(13-17-27)28-14-6-1-7-15-28)19-29-24-10-4-2-8-22(24)26(31)23-9-3-5-11-25(23)29/h2-5,8-11,20-21,30H,1,6-7,12-19H2.
What are the key properties of 10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one?
10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one has a molecular weight of 419.57 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-hydroxy-3-(4-piperidin-1-ylpiperidin-1-yl)propyl]acridin-9-one is sourced from PubChem (CID 44590277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).