4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one

C24H27NO3 — CID 131941564

IUPAC4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cccc2C(=O)N1CCC(C(O)CCc2ccccc2)CC1
InChIInChI=1S/C24H27NO3/c26-22(11-9-17-5-2-1-3-6-17)18-13-15-25(16-14-18)24(28)21-8-4-7-20-19(21)10-12-23(20)27/h1-8,18,22,26H,9-16H2
InChIKeyBIBNMNQILZCYCD-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.66
Rot. Bonds5

About 4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one

4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one (PubChem CID 131941564) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
PubChem CID131941564
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
SMILESO=C1CCc2c1cccc2C(=O)N1CCC(C(O)CCc2ccccc2)CC1
InChIInChI=1S/C24H27NO3/c26-22(11-9-17-5-2-1-3-6-17)18-13-15-25(16-14-18)24(28)21-8-4-7-20-19(21)10-12-23(20)27/h1-8,18,22,26H,9-16H2
InChIKeyBIBNMNQILZCYCD-UHFFFAOYSA-N
XLogP3.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 70756218
(2-ethylpyrimidin-5-yl)-[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methanone
CID 70766957
4-(1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)-2,3-dihydroinden-1-one
CID 157020459
[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 131901997
N-[3-chloro-4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]phenyl]acetamide
CID 131893172
2-[4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131930592
4-[3-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 166617141
[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 91833292
4-(1-hydroxy-3-phenylpropyl)-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 119058706
(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
4-[(1S)-1-hydroxy-3-phenylpropyl]-N-(2-methoxy-2-methylpropyl)piperidine-1-carboxamide
CID 126423568
N-[3-(dimethylamino)-3-oxopropyl]-4-[(1R)-1-hydroxy-3-phenylpropyl]piperidine-1-carboxamide
CID 125441834

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one (CID 131941564) is 4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one is O=C1CCc2c1cccc2C(=O)N1CCC(C(O)CCc2ccccc2)CC1.
What is the InChIKey of 4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
The InChIKey is BIBNMNQILZCYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c26-22(11-9-17-5-2-1-3-6-17)18-13-15-25(16-14-18)24(28)21-8-4-7-20-19(21)10-12-23(20)27/h1-8,18,22,26H,9-16H2.
What are the key properties of 4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one?
4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one has a molecular weight of 377.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxy-3-phenylpropyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 131941564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).