2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone

C21H26N2O4 — CID 4740636

IUPAC2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C(C)N2CCN(C(=O)COc3ccccc3O)CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-16(17-7-9-18(26-2)10-8-17)22-11-13-23(14-12-22)21(25)15-27-20-6-4-3-5-19(20)24/h3-10,16,24H,11-15H2,1-2H3
InChIKeyMDNSDMPYMGSNLF-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.68
Rot. Bonds6

About 2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone

2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone (PubChem CID 4740636) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
PubChem CID4740636
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C(C)N2CCN(C(=O)COc3ccccc3O)CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-16(17-7-9-18(26-2)10-8-17)22-11-13-23(14-12-22)21(25)15-27-20-6-4-3-5-19(20)24/h3-10,16,24H,11-15H2,1-2H3
InChIKeyMDNSDMPYMGSNLF-UHFFFAOYSA-N
XLogP2.68
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-1-[4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 113074011
3-(2-hydroxyphenoxy)-1-[4-[1-(4-phenoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 4740705
1-[4-[1-(2,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-3-(2-hydroxyphenoxy)propan-1-one
CID 4740668
5-[4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid
CID 2051092
4-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-oxobutanehydrazide
CID 4740634
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 103822577
2-(2-methoxyphenoxy)-1-[4-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]ethanone
CID 95973493
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
4-[4-[1-(4-methoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2771200
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
1-[4-[2-(2-hydroxyphenoxy)acetyl]piperazin-1-yl]-2-(4-nitrophenoxy)ethanone
CID 4739756
1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 55563553

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone (CID 4740636) is 2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone is COc1ccc(C(C)N2CCN(C(=O)COc3ccccc3O)CC2)cc1.
What is the InChIKey of 2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is MDNSDMPYMGSNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-16(17-7-9-18(26-2)10-8-17)22-11-13-23(14-12-22)21(25)15-27-20-6-4-3-5-19(20)24/h3-10,16,24H,11-15H2,1-2H3.
What are the key properties of 2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone?
2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 370.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenoxy)-1-[4-[1-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 4740636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).