[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone

C15H22N2O2 — CID 63767656

IUPAC[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC2CCCN)cc1
InChIInChI=1S/C15H22N2O2/c1-19-14-8-6-12(7-9-14)15(18)17-11-3-5-13(17)4-2-10-16/h6-9,13H,2-5,10-11,16H2,1H3
InChIKeySNAQFUWKICJEBO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.04
Rot. Bonds5

About [2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone

[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 63767656) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID63767656
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC2CCCN)cc1
InChIInChI=1S/C15H22N2O2/c1-19-14-8-6-12(7-9-14)15(18)17-11-3-5-13(17)4-2-10-16/h6-9,13H,2-5,10-11,16H2,1H3
InChIKeySNAQFUWKICJEBO-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

[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 63767479
[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
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
[2-(bromomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 74554954
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107673329
[2-(bromomethyl)azepan-1-yl]-(4-methoxyphenyl)methanone
CID 116639403
5-[2-(3-aminopropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 114041022
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119631878

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone (CID 63767656) is [2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCCC2CCCN)cc1.
What is the InChIKey of [2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is SNAQFUWKICJEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-14-8-6-12(7-9-14)15(18)17-11-3-5-13(17)4-2-10-16/h6-9,13H,2-5,10-11,16H2,1H3.
What are the key properties of [2-(3-aminopropyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone?
[2-(3-aminopropyl)pyrrolidin-1-yl]-(4-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]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 63767656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).