(3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

C16H22N2O2 — CID 62273189

IUPAC(3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCCC2C2CCCN2)c1
InChIInChI=1S/C16H22N2O2/c1-20-13-6-2-5-12(11-13)16(19)18-10-4-8-15(18)14-7-3-9-17-14/h2,5-6,11,14-15,17H,3-4,7-10H2,1H3
InChIKeyFKKKFMDELPLJBO-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds3

About (3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone

(3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 62273189) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
PubChem CID62273189
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCCC2C2CCCN2)c1
InChIInChI=1S/C16H22N2O2/c1-20-13-6-2-5-12(11-13)16(19)18-10-4-8-15(18)14-7-3-9-17-14/h2,5-6,11,14-15,17H,3-4,7-10H2,1H3
InChIKeyFKKKFMDELPLJBO-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256589
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
1-(3-methoxybenzoyl)-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrol-5-one
CID 131640170
(4-methoxythiophen-2-yl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 81118490
[(3R,3aS,8aS)-3-phenyl-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[3,2-b]azepin-1-yl]-(3-methoxyphenyl)methanone
CID 110137634
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
(3-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 82878824
(2,6-dichlorophenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 62274244
(2-fluoro-3-methylphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone
CID 81477265
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119597340
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 63767479

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone (CID 62273189) is (3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is COc1cccc(C(=O)N2CCCC2C2CCCN2)c1.
What is the InChIKey of (3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is FKKKFMDELPLJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-13-6-2-5-12(11-13)16(19)18-10-4-8-15(18)14-7-3-9-17-14/h2,5-6,11,14-15,17H,3-4,7-10H2,1H3.
What are the key properties of (3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone?
(3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2-pyrrolidin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62273189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).