[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

C20H25N3O3 — CID 118786072

IUPAC[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCCC2c2cccnc2)c(OCCN)c1
InChIInChI=1S/C20H25N3O3/c1-25-16-7-8-17(19(13-16)26-12-9-21)20(24)23-11-3-2-6-18(23)15-5-4-10-22-14-15/h4-5,7-8,10,13-14,18H,2-3,6,9,11-12,21H2,1H3
InChIKeyYNMNIOJSLCNMEC-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.80
Rot. Bonds6

About [2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone

[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 118786072) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID118786072
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCCCC2c2cccnc2)c(OCCN)c1
InChIInChI=1S/C20H25N3O3/c1-25-16-7-8-17(19(13-16)26-12-9-21)20(24)23-11-3-2-6-18(23)15-5-4-10-22-14-15/h4-5,7-8,10,13-14,18H,2-3,6,9,11-12,21H2,1H3
InChIKeyYNMNIOJSLCNMEC-UHFFFAOYSA-N
XLogP2.80
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 126449120
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7070196
(2,4-dimethoxyphenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 55440342
N-(4-methoxybenzoyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 23738906
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145858
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 97145859
[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone
CID 118773491
[1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazol-4-yl]-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 26342576
2-[3-(2-aminoethoxy)phenyl]-1-[2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 118765592
3,5-dimethoxy-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide
CID 3808385
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 118786072) is [2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCCCC2c2cccnc2)c(OCCN)c1.
What is the InChIKey of [2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is YNMNIOJSLCNMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-16-7-8-17(19(13-16)26-12-9-21)20(24)23-11-3-2-6-18(23)15-5-4-10-22-14-15/h4-5,7-8,10,13-14,18H,2-3,6,9,11-12,21H2,1H3.
What are the key properties of [2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone?
[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.80, 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]-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 118786072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).