1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone

C24H30N2O2 — CID 51688220

IUPAC1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)CN2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-28-22-10-5-9-21(17-22)23-11-6-14-26(23)24(27)18-25-15-12-20(13-16-25)19-7-3-2-4-8-19/h2-5,7-10,17,20,23H,6,11-16,18H2,1H3/t23-/m1/s1
InChIKeyIBHBFFHRRHTPCS-HSZRJFAPSA-N
MW378.52 g/mol
LogP4.24
Rot. Bonds5

About 1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone

1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone (PubChem CID 51688220) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
PubChem CID51688220
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
SMILESCOc1cccc([C@H]2CCCN2C(=O)CN2CCC(c3ccccc3)CC2)c1
InChIInChI=1S/C24H30N2O2/c1-28-22-10-5-9-21(17-22)23-11-6-14-26(23)24(27)18-25-15-12-20(13-16-25)19-7-3-2-4-8-19/h2-5,7-10,17,20,23H,6,11-16,18H2,1H3/t23-/m1/s1
InChIKeyIBHBFFHRRHTPCS-HSZRJFAPSA-N
XLogP4.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
2-[4-(3-methoxyphenyl)piperidin-1-yl]acetic acid
CID 18184335
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
1-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 118781505
4-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 125120944
2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 64610151
benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 137320135
2-(2-chlorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51325114
2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 124843390
5-amino-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 82013930
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 75866663
2-[[2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 94454003

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone (CID 51688220) is 1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone is COc1cccc([C@H]2CCCN2C(=O)CN2CCC(c3ccccc3)CC2)c1.
What is the InChIKey of 1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone?
The InChIKey is IBHBFFHRRHTPCS-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-22-10-5-9-21(17-22)23-11-6-14-26(23)24(27)18-25-15-12-20(13-16-25)19-7-3-2-4-8-19/h2-5,7-10,17,20,23H,6,11-16,18H2,1H3/t23-/m1/s1.
What are the key properties of 1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone?
1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone has a molecular weight of 378.52 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone is sourced from PubChem (CID 51688220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).