[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone

C24H30N2O2 — CID 134796455

IUPAC[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1-c1ccc(CN2CCCCC2C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H30N2O2/c1-28-23-10-3-2-8-21(23)20-13-11-19(12-14-20)18-26-17-5-4-9-22(26)24(27)25-15-6-7-16-25/h2-3,8,10-14,22H,4-7,9,15-18H2,1H3
InChIKeyRNYUBTOADCYEDD-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.34
Rot. Bonds5

About [1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone

[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134796455) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is [1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID134796455
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccccc1-c1ccc(CN2CCCCC2C(=O)N2CCCC2)cc1
InChIInChI=1S/C24H30N2O2/c1-28-23-10-3-2-8-21(23)20-13-11-19(12-14-20)18-26-17-5-4-9-22(26)24(27)25-15-6-7-16-25/h2-3,8,10-14,22H,4-7,9,15-18H2,1H3
InChIKeyRNYUBTOADCYEDD-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-1-yl)-[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]methanone
CID 134802654
[1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 134801868
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 134801433
2-[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethylethanamine
CID 46977037
N-cyclobutyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 134802121
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
2-[(2S)-1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92639894
[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95176295
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
CID 119519896
1-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]ethanone
CID 55257955
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone (CID 134796455) is [1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone is COc1ccccc1-c1ccc(CN2CCCCC2C(=O)N2CCCC2)cc1.
What is the InChIKey of [1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is RNYUBTOADCYEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-28-23-10-3-2-8-21(23)20-13-11-19(12-14-20)18-26-17-5-4-9-22(26)24(27)25-15-6-7-16-25/h2-3,8,10-14,22H,4-7,9,15-18H2,1H3.
What are the key properties of [1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone?
[1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 378.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(2-methoxyphenyl)phenyl]methyl]piperidin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134796455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).