(4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone

C23H28N2O2 — CID 95714009

IUPAC(4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone
SMILESCOC1(c2ccccc2)CCN(C(=O)c2ccccc2[C@@H]2CCNC2)CC1
InChIInChI=1S/C23H28N2O2/c1-27-23(19-7-3-2-4-8-19)12-15-25(16-13-23)22(26)21-10-6-5-9-20(21)18-11-14-24-17-18/h2-10,18,24H,11-17H2,1H3/t18-/m1/s1
InChIKeyGXWGPXCLLBARSU-GOSISDBHSA-N
MW364.49 g/mol
LogP3.54
Rot. Bonds4

About (4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone

(4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone (PubChem CID 95714009) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone.

Molecular Properties

Compound Name(4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone
PubChem CID95714009
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone
SMILESCOC1(c2ccccc2)CCN(C(=O)c2ccccc2[C@@H]2CCNC2)CC1
InChIInChI=1S/C23H28N2O2/c1-27-23(19-7-3-2-4-8-19)12-15-25(16-13-23)22(26)21-10-6-5-9-20(21)18-11-14-24-17-18/h2-10,18,24H,11-17H2,1H3/t18-/m1/s1
InChIKeyGXWGPXCLLBARSU-GOSISDBHSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone?
The IUPAC name of (4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone (CID 95714009) is (4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone.
What is the SMILES notation for (4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone?
The canonical SMILES for (4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone is COC1(c2ccccc2)CCN(C(=O)c2ccccc2[C@@H]2CCNC2)CC1.
What is the InChIKey of (4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone?
The InChIKey is GXWGPXCLLBARSU-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-27-23(19-7-3-2-4-8-19)12-15-25(16-13-23)22(26)21-10-6-5-9-20(21)18-11-14-24-17-18/h2-10,18,24H,11-17H2,1H3/t18-/m1/s1.
What are the key properties of (4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone?
(4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-4-phenylpiperidin-1-yl)-[2-[(3S)-pyrrolidin-3-yl]phenyl]methanone is sourced from PubChem (CID 95714009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).