cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone

C32H43NO3 — CID 51003617

IUPACcyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone
SMILESO=C(c1ccc(OCCCN2CCC(C(O)(c3ccccc3)C3CCCC3)CC2)cc1)C1CCCC1
InChIInChI=1S/C32H43NO3/c34-31(25-9-4-5-10-25)26-15-17-30(18-16-26)36-24-8-21-33-22-19-29(20-23-33)32(35,28-13-6-7-14-28)27-11-2-1-3-12-27/h1-3,11-12,15-18,25,28-29,35H,4-10,13-14,19-24H2
InChIKeyLLIDQVZZWRGCJP-UHFFFAOYSA-N
MW489.70 g/mol
LogP6.62
Rot. Bonds10

About cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone

cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone (PubChem CID 51003617) has the molecular formula C32H43NO3 and a molecular weight of 489.70 g/mol. Its IUPAC name is cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone
PubChem CID51003617
Molecular FormulaC32H43NO3
Molecular Weight489.70 g/mol
Exact Mass489.32
IUPAC Namecyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone
SMILESO=C(c1ccc(OCCCN2CCC(C(O)(c3ccccc3)C3CCCC3)CC2)cc1)C1CCCC1
InChIInChI=1S/C32H43NO3/c34-31(25-9-4-5-10-25)26-15-17-30(18-16-26)36-24-8-21-33-22-19-29(20-23-33)32(35,28-13-6-7-14-28)27-11-2-1-3-12-27/h1-3,11-12,15-18,25,28-29,35H,4-10,13-14,19-24H2
InChIKeyLLIDQVZZWRGCJP-UHFFFAOYSA-N
XLogP6.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.70
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]pyridine-2-carbonitrile
CID 86582431
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
phenyl-[1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperidin-4-yl]methanone
CID 66783871
[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol
CID 44907120
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol;2,2,2-trifluoroacetic acid
CID 53300854
4-[3-(4-aminopiperidin-1-yl)propoxy]benzoic acid
CID 129300145
(2-phenylcyclopropyl)-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone
CID 72962194
cyclopropyl-[4-[3-(4-pyridin-4-ylpiperidin-1-yl)propoxy]phenyl]methanone
CID 162643335
N-(2-hydroxy-2-phenylpropyl)-4-(3-piperidin-1-ylpropoxy)benzamide
CID 90935627
1-[1-(3-phenoxypropyl)piperidin-4-yl]-6-piperidin-1-ylhexan-1-one
CID 57169720
methyl 3-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]benzoate
CID 51049667
bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol;oxalic acid
CID 23036403

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone?
The IUPAC name of cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone (CID 51003617) is cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone.
What is the SMILES notation for cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone?
The canonical SMILES for cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone is O=C(c1ccc(OCCCN2CCC(C(O)(c3ccccc3)C3CCCC3)CC2)cc1)C1CCCC1.
What is the InChIKey of cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone?
The InChIKey is LLIDQVZZWRGCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43NO3/c34-31(25-9-4-5-10-25)26-15-17-30(18-16-26)36-24-8-21-33-22-19-29(20-23-33)32(35,28-13-6-7-14-28)27-11-2-1-3-12-27/h1-3,11-12,15-18,25,28-29,35H,4-10,13-14,19-24H2.
What are the key properties of cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone?
cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone has a molecular weight of 489.70 g/mol, XLogP of 6.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[3-[4-(cyclopentyl-hydroxy-phenylmethyl)piperidin-1-yl]propoxy]phenyl]methanone is sourced from PubChem (CID 51003617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).