[2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone

C19H29N3O3 — CID 126448401

IUPAC[2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c(OCCN)c1
InChIInChI=1S/C19H29N3O3/c1-24-16-5-6-17(18(13-16)25-12-8-20)19(23)22-11-7-15(14-22)21-9-3-2-4-10-21/h5-6,13,15H,2-4,7-12,14,20H2,1H3/t15-/m1/s1
InChIKeyXUBMWANOUXQZFC-OAHLLOKOSA-N
MW347.46 g/mol
LogP1.73
Rot. Bonds6

About [2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone

[2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone (PubChem CID 126448401) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
PubChem CID126448401
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c(OCCN)c1
InChIInChI=1S/C19H29N3O3/c1-24-16-5-6-17(18(13-16)25-12-8-20)19(23)22-11-7-15(14-22)21-9-3-2-4-10-21/h5-6,13,15H,2-4,7-12,14,20H2,1H3/t15-/m1/s1
InChIKeyXUBMWANOUXQZFC-OAHLLOKOSA-N
XLogP1.73
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone
CID 118773491
[2-(2-aminoethoxy)-4-methoxyphenyl]-[(1S,5R)-8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl]methanone
CID 118780575
(2,5-dimethoxyphenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95616152
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 114960668
[2-(3-aminopropoxy)-5-methoxyphenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 118777830
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[2-(2-methoxyethoxy)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994646
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone;dihydrochloride
CID 172910380
[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42566083
[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 118786072
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone (CID 126448401) is [2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c(OCCN)c1.
What is the InChIKey of [2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone?
The InChIKey is XUBMWANOUXQZFC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-24-16-5-6-17(18(13-16)25-12-8-20)19(23)22-11-7-15(14-22)21-9-3-2-4-10-21/h5-6,13,15H,2-4,7-12,14,20H2,1H3/t15-/m1/s1.
What are the key properties of [2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone?
[2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethoxy)-4-methoxyphenyl]-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 126448401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).