[3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone

C20H26N2O4S — CID 119063986

IUPAC[3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(C(O)c3cccs3)CC2)cc1OCCN
InChIInChI=1S/C20H26N2O4S/c1-25-16-5-4-15(13-17(16)26-11-8-21)20(24)22-9-6-14(7-10-22)19(23)18-3-2-12-27-18/h2-5,12-14,19,23H,6-11,21H2,1H3
InChIKeyUCURIKVEUGBARF-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.68
Rot. Bonds7

About [3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone

[3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 119063986) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is [3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID119063986
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name[3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(C(O)c3cccs3)CC2)cc1OCCN
InChIInChI=1S/C20H26N2O4S/c1-25-16-5-4-15(13-17(16)26-11-8-21)20(24)22-9-6-14(7-10-22)19(23)18-3-2-12-27-18/h2-5,12-14,19,23H,6-11,21H2,1H3
InChIKeyUCURIKVEUGBARF-UHFFFAOYSA-N
XLogP2.68
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 110349417
3,4-dihydro-2H-chromen-6-yl-[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone
CID 126438461
(3,4-dimethoxyphenyl)-(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone
CID 121191385
(3-ethoxy-4-methoxyphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60957769
(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357787
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 119063300
[3-(2-aminoethoxy)-4-methoxyphenyl]-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone;hydrochloride
CID 154884508
(3,5-dimethoxy-4-methylphenyl)-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 46445696
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone (CID 119063986) is [3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(C(O)c3cccs3)CC2)cc1OCCN.
What is the InChIKey of [3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is UCURIKVEUGBARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-25-16-5-4-15(13-17(16)26-11-8-21)20(24)22-9-6-14(7-10-22)19(23)18-3-2-12-27-18/h2-5,12-14,19,23H,6-11,21H2,1H3.
What are the key properties of [3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone?
[3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 390.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethoxy)-4-methoxyphenyl]-[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 119063986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).