[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone

C16H20FNO3 — CID 121197580

IUPAC[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(OCC3CC3)C2)cc1F
InChIInChI=1S/C16H20FNO3/c1-20-15-5-4-12(8-14(15)17)16(19)18-7-6-13(9-18)21-10-11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3
InChIKeyVKQKBXDMSYGVPB-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.48
Rot. Bonds5

About [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone

[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 121197580) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID121197580
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(OCC3CC3)C2)cc1F
InChIInChI=1S/C16H20FNO3/c1-20-15-5-4-12(8-14(15)17)16(19)18-7-6-13(9-18)21-10-11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3
InChIKeyVKQKBXDMSYGVPB-UHFFFAOYSA-N
XLogP2.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 129358042
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-difluorophenyl)methanone
CID 119105495
[4-(2-bromoethoxy)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 82688043
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 80678015
(3-fluoro-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114501438
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 129357837
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 119100344
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 121197545
(3-fluoro-4-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627165
(3-fluoro-4-methoxyphenyl)-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91627040

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone (CID 121197580) is [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(OCC3CC3)C2)cc1F.
What is the InChIKey of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is VKQKBXDMSYGVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-20-15-5-4-12(8-14(15)17)16(19)18-7-6-13(9-18)21-10-11-2-3-11/h4-5,8,11,13H,2-3,6-7,9-10H2,1H3.
What are the key properties of [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone?
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 293.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 121197580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).