bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

C23H28N2O3 — CID 174863821

IUPACbis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(C2CCCN2C(=O)N2CCCC2c2cccc(OC)c2)c1
InChIInChI=1S/C23H28N2O3/c1-27-19-9-3-7-17(15-19)21-11-5-13-24(21)23(26)25-14-6-12-22(25)18-8-4-10-20(16-18)28-2/h3-4,7-10,15-16,21-22H,5-6,11-14H2,1-2H3
InChIKeyDIQUJFGNFPPESR-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.80
Rot. Bonds4

About bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone

bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 174863821) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namebis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID174863821
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namebis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1cccc(C2CCCN2C(=O)N2CCCC2c2cccc(OC)c2)c1
InChIInChI=1S/C23H28N2O3/c1-27-19-9-3-7-17(15-19)21-11-5-13-24(21)23(26)25-14-6-12-22(25)18-8-4-10-20(16-18)28-2/h3-4,7-10,15-16,21-22H,5-6,11-14H2,1-2H3
InChIKeyDIQUJFGNFPPESR-UHFFFAOYSA-N
XLogP4.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 95715803
tert-butyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 15189984
2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
[2-(3-methoxyphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 56898380
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913273
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
cyclopropyl-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 55526600
(2-methoxyphenyl)-[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 78834014
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
2-(azetidin-3-ylidene)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 116676267
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033

Frequently Asked Questions

What is the IUPAC name of bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 174863821) is bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is COc1cccc(C2CCCN2C(=O)N2CCCC2c2cccc(OC)c2)c1.
What is the InChIKey of bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is DIQUJFGNFPPESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-19-9-3-7-17(15-19)21-11-5-13-24(21)23(26)25-14-6-12-22(25)18-8-4-10-20(16-18)28-2/h3-4,7-10,15-16,21-22H,5-6,11-14H2,1-2H3.
What are the key properties of bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone?
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 174863821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).