[(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate

C26H33NO2 — CID 7211572

IUPAC[(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate
SMILESO=C(O[C@H](CCN1CCCCC1)c1ccccc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C26H33NO2/c28-25(26(17-8-9-18-26)23-14-6-2-7-15-23)29-24(22-12-4-1-5-13-22)16-21-27-19-10-3-11-20-27/h1-2,4-7,12-15,24H,3,8-11,16-21H2/t24-/m1/s1
InChIKeyBZMZWKSKBOURSX-XMMPIXPASA-N
MW391.56 g/mol
LogP5.66
Rot. Bonds7

About [(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate

[(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate (PubChem CID 7211572) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is [(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate
PubChem CID7211572
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC Name[(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate
SMILESO=C(O[C@H](CCN1CCCCC1)c1ccccc1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C26H33NO2/c28-25(26(17-8-9-18-26)23-14-6-2-7-15-23)29-24(22-12-4-1-5-13-22)16-21-27-19-10-3-11-20-27/h1-2,4-7,12-15,24H,3,8-11,16-21H2/t24-/m1/s1
InChIKeyBZMZWKSKBOURSX-XMMPIXPASA-N
XLogP5.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenyl-3-piperidin-1-ylpropyl) N-phenylcarbamate;hydrochloride
CID 3056701
1-phenyl-N-(3-piperidin-1-ylpropanoyl)cyclopentane-1-carboxamide
CID 4294813
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclohexane-1-carboxamide
CID 66692251
2-pyrrolidin-1-ylethyl 4-phenylpiperidine-4-carboxylate
CID 20511851
[(2R)-1-methylpiperidin-2-yl]methyl 1-phenylcyclohexane-1-carboxylate
CID 46213709
[1-phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-1-phenylcyclopentane-1-carboxamide
CID 100658483
4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride
CID 126961345
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187
1-[4-(2-pyrrolidin-1-ylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117463972

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of [(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate (CID 7211572) is [(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for [(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for [(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate is O=C(O[C@H](CCN1CCCCC1)c1ccccc1)C1(c2ccccc2)CCCC1.
What is the InChIKey of [(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate?
The InChIKey is BZMZWKSKBOURSX-XMMPIXPASA-N. The full InChI is InChI=1S/C26H33NO2/c28-25(26(17-8-9-18-26)23-14-6-2-7-15-23)29-24(22-12-4-1-5-13-22)16-21-27-19-10-3-11-20-27/h1-2,4-7,12-15,24H,3,8-11,16-21H2/t24-/m1/s1.
What are the key properties of [(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate?
[(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate has a molecular weight of 391.56 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenyl-3-piperidin-1-ylpropyl] 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 7211572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).