3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide

C23H31N3O3 — CID 109029549

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)Nc2ccccc2OC(C)C)CC1
InChIInChI=1S/C23H31N3O3/c1-18(2)29-21-10-6-4-8-19(21)24-23(27)12-13-25-14-16-26(17-15-25)20-9-5-7-11-22(20)28-3/h4-11,18H,12-17H2,1-3H3,(H,24,27)
InChIKeyRMIJYDTYUXBMNF-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.63
Rot. Bonds8

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide

3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 109029549) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID109029549
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)Nc2ccccc2OC(C)C)CC1
InChIInChI=1S/C23H31N3O3/c1-18(2)29-21-10-6-4-8-19(21)24-23(27)12-13-25-14-16-26(17-15-25)20-9-5-7-11-22(20)28-3/h4-11,18H,12-17H2,1-3H3,(H,24,27)
InChIKeyRMIJYDTYUXBMNF-UHFFFAOYSA-N
XLogP3.63
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide;hydrochloride
CID 44782286
N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149684
propan-2-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 110186525
N-(4-ethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 109029533
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695553
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 33397551
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
3-(2,3-dihydroindol-1-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109034849
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)hexanamide;hydrochloride
CID 162674778
3-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(2-methoxyphenyl)propanamide
CID 87015722
2-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]aniline
CID 22458185

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide (CID 109029549) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide is COc1ccccc1N1CCN(CCC(=O)Nc2ccccc2OC(C)C)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is RMIJYDTYUXBMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-18(2)29-21-10-6-4-8-19(21)24-23(27)12-13-25-14-16-26(17-15-25)20-9-5-7-11-22(20)28-3/h4-11,18H,12-17H2,1-3H3,(H,24,27).
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 397.52 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109029549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).