(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide

C25H35N3O3 — CID 9259058

IUPAC(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H35N3O3/c1-19(2)21-5-7-22(8-6-21)26-25(29)20(3)28-15-13-27(14-16-28)17-18-31-24-11-9-23(30-4)10-12-24/h5-12,19-20H,13-18H2,1-4H3,(H,26,29)/t20-/m1/s1
InChIKeyHREGSVGETNXYGE-HXUWFJFHSA-N
MW425.57 g/mol
LogP3.84
Rot. Bonds9

About (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide

(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 9259058) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID9259058
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCOc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H35N3O3/c1-19(2)21-5-7-22(8-6-21)26-25(29)20(3)28-15-13-27(14-16-28)17-18-31-24-11-9-23(30-4)10-12-24/h5-12,19-20H,13-18H2,1-4H3,(H,26,29)/t20-/m1/s1
InChIKeyHREGSVGETNXYGE-HXUWFJFHSA-N
XLogP3.84
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370406
(2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30738398
(2S)-N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propanamide
CID 9494194
(2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774532
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 85009172
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 9259187
N-(4-methoxyphenyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]propanamide
CID 55470324
N-(4-ethoxyphenyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9259318

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide (CID 9259058) is (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide is COc1ccc(OCCN2CCN([C@H](C)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is HREGSVGETNXYGE-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-19(2)21-5-7-22(8-6-21)26-25(29)20(3)28-15-13-27(14-16-28)17-18-31-24-11-9-23(30-4)10-12-24/h5-12,19-20H,13-18H2,1-4H3,(H,26,29)/t20-/m1/s1.
What are the key properties of (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide?
(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 425.57 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 9259058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).