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

C15H22N2O2 — CID 63767479

IUPAC[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCC2CCCN)c1
InChIInChI=1S/C15H22N2O2/c1-19-14-8-2-5-12(11-14)15(18)17-10-4-7-13(17)6-3-9-16/h2,5,8,11,13H,3-4,6-7,9-10,16H2,1H3
InChIKeyMVBJOAUCRFRFHY-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.04
Rot. Bonds5

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

[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 63767479) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID63767479
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCC2CCCN)c1
InChIInChI=1S/C15H22N2O2/c1-19-14-8-2-5-12(11-14)15(18)17-10-4-7-13(17)6-3-9-16/h2,5,8,11,13H,3-4,6-7,9-10,16H2,1H3
InChIKeyMVBJOAUCRFRFHY-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 63767656
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,5-dimethoxyphenyl)methanone
CID 63765380
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63766326
[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea
CID 95306637
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119597340
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107673329
[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 155881600
[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 94800092
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone (CID 63767479) is [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCCC2CCCN)c1.
What is the InChIKey of [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is MVBJOAUCRFRFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-14-8-2-5-12(11-14)15(18)17-10-4-7-13(17)6-3-9-16/h2,5,8,11,13H,3-4,6-7,9-10,16H2,1H3.
What are the key properties of [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone?
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 63767479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).