cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone

C21H30N2O2 — CID 71687067

IUPACcyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC[C@](O)(c2ccccc2)[C@H](N2CCCC2)C1
InChIInChI=1S/C21H30N2O2/c24-20(17-8-4-5-9-17)23-15-12-21(25,18-10-2-1-3-11-18)19(16-23)22-13-6-7-14-22/h1-3,10-11,17,19,25H,4-9,12-16H2/t19-,21+/m1/s1
InChIKeyIZNBZSHHXFFZAO-CTNGQTDRSA-N
MW342.48 g/mol
LogP2.76
Rot. Bonds3

About cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone

cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone (PubChem CID 71687067) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
PubChem CID71687067
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Namecyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC[C@](O)(c2ccccc2)[C@H](N2CCCC2)C1
InChIInChI=1S/C21H30N2O2/c24-20(17-8-4-5-9-17)23-15-12-21(25,18-10-2-1-3-11-18)19(16-23)22-13-6-7-14-22/h1-3,10-11,17,19,25H,4-9,12-16H2/t19-,21+/m1/s1
InChIKeyIZNBZSHHXFFZAO-CTNGQTDRSA-N
XLogP2.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone (CID 71687067) is cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone is O=C(C1CCCC1)N1CC[C@](O)(c2ccccc2)[C@H](N2CCCC2)C1.
What is the InChIKey of cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The InChIKey is IZNBZSHHXFFZAO-CTNGQTDRSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(17-8-4-5-9-17)23-15-12-21(25,18-10-2-1-3-11-18)19(16-23)22-13-6-7-14-22/h1-3,10-11,17,19,25H,4-9,12-16H2/t19-,21+/m1/s1.
What are the key properties of cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone has a molecular weight of 342.48 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 71687067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).