[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone

C22H29N3O2 — CID 156606417

IUPAC[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3cccc(N(C)C)c3)CC2N(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-23(2)18-8-6-7-17(13-18)22(26)25-14-20(21(15-25)24(3)4)16-9-11-19(27-5)12-10-16/h6-13,20-21H,14-15H2,1-5H3
InChIKeyHQCFEFPLVGAVGB-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.93
Rot. Bonds5

About [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone

[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone (PubChem CID 156606417) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
PubChem CID156606417
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCOc1ccc(C2CN(C(=O)c3cccc(N(C)C)c3)CC2N(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-23(2)18-8-6-7-17(13-18)22(26)25-14-20(21(15-25)24(3)4)16-9-11-19(27-5)12-10-16/h6-13,20-21H,14-15H2,1-5H3
InChIKeyHQCFEFPLVGAVGB-UHFFFAOYSA-N
XLogP2.93
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(dimethylamino)phenyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168601
[3-(dimethylamino)phenyl]-[2-(4-methoxyphenyl)thiomorpholin-4-yl]methanone
CID 110673004
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 156604067
(3R,4S)-1-[3-(dimethylamino)benzoyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 133113295
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
[3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[3-[3-(dimethylamino)phenyl]phenyl]methanone
CID 156608777
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 110107932
[(3R,4R)-1-(3-methoxybenzoyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93148856
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 156606912
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 110365155
3-[2-[(3S,4R)-3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72900722
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone (CID 156606417) is [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone is COc1ccc(C2CN(C(=O)c3cccc(N(C)C)c3)CC2N(C)C)cc1.
What is the InChIKey of [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The InChIKey is HQCFEFPLVGAVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-23(2)18-8-6-7-17(13-18)22(26)25-14-20(21(15-25)24(3)4)16-9-11-19(27-5)12-10-16/h6-13,20-21H,14-15H2,1-5H3.
What are the key properties of [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone has a molecular weight of 367.49 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 156606417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).