[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone

C18H26N2O3 — CID 124994936

IUPAC[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccc(C2(C(=O)N3CC[C@@](O)(CN(C)C)C3)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-19(2)12-17(22)10-11-20(13-17)16(21)18(8-9-18)14-4-6-15(23-3)7-5-14/h4-7,22H,8-13H2,1-3H3/t17-/m1/s1
InChIKeyQIHLMRNNWASHHG-QGZVFWFLSA-N
MW318.42 g/mol
LogP1.25
Rot. Bonds5

About [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone

[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone (PubChem CID 124994936) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
PubChem CID124994936
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCOc1ccc(C2(C(=O)N3CC[C@@](O)(CN(C)C)C3)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-19(2)12-17(22)10-11-20(13-17)16(21)18(8-9-18)14-4-6-15(23-3)7-5-14/h4-7,22H,8-13H2,1-3H3/t17-/m1/s1
InChIKeyQIHLMRNNWASHHG-QGZVFWFLSA-N
XLogP1.25
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone with MolForge

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Related Compounds

[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 95712054
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 56910649
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
1-[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 56896304
4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid
CID 56870037
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
1-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-3-methoxypropan-1-one
CID 125012347
[1-(4-methoxyphenyl)cyclopropyl]-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 146066618
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 155498461
[6-(hydroxymethyl)-6-methyl-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 166305136
[(3S)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 99931569

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone (CID 124994936) is [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone is COc1ccc(C2(C(=O)N3CC[C@@](O)(CN(C)C)C3)CC2)cc1.
What is the InChIKey of [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is QIHLMRNNWASHHG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-19(2)12-17(22)10-11-20(13-17)16(21)18(8-9-18)14-4-6-15(23-3)7-5-14/h4-7,22H,8-13H2,1-3H3/t17-/m1/s1.
What are the key properties of [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 318.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 124994936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).