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

C22H32N2O2 — CID 71687066

IUPACcyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CC[C@](O)(c2ccccc2)[C@H](N2CCCC2)C1
InChIInChI=1S/C22H32N2O2/c25-21(18-9-3-1-4-10-18)24-16-13-22(26,19-11-5-2-6-12-19)20(17-24)23-14-7-8-15-23/h2,5-6,11-12,18,20,26H,1,3-4,7-10,13-17H2/t20-,22+/m1/s1
InChIKeyVWOAGDDAWZWWOK-IRLDBZIGSA-N
MW356.51 g/mol
LogP3.15
Rot. Bonds3

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

cyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone (PubChem CID 71687066) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is cyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
PubChem CID71687066
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Namecyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CC[C@](O)(c2ccccc2)[C@H](N2CCCC2)C1
InChIInChI=1S/C22H32N2O2/c25-21(18-9-3-1-4-10-18)24-16-13-22(26,19-11-5-2-6-12-19)20(17-24)23-14-7-8-15-23/h2,5-6,11-12,18,20,26H,1,3-4,7-10,13-17H2/t20-,22+/m1/s1
InChIKeyVWOAGDDAWZWWOK-IRLDBZIGSA-N
XLogP3.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone (CID 71687066) is cyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone is O=C(C1CCCCC1)N1CC[C@](O)(c2ccccc2)[C@H](N2CCCC2)C1.
What is the InChIKey of cyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
The InChIKey is VWOAGDDAWZWWOK-IRLDBZIGSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-21(18-9-3-1-4-10-18)24-16-13-22(26,19-11-5-2-6-12-19)20(17-24)23-14-7-8-15-23/h2,5-6,11-12,18,20,26H,1,3-4,7-10,13-17H2/t20-,22+/m1/s1.
What are the key properties of cyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone?
cyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone has a molecular weight of 356.51 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 71687066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).