N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide

C25H33N3O3 — CID 55565579

IUPACN-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)c1
InChIInChI=1S/C25H33N3O3/c1-19(23(29)26-18-20-9-8-12-22(17-20)31-4)27-13-15-28(16-14-27)24(30)25(2,3)21-10-6-5-7-11-21/h5-12,17,19H,13-16,18H2,1-4H3,(H,26,29)
InChIKeyPADKIICVQVMLTA-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.82
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide

N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide (PubChem CID 55565579) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
PubChem CID55565579
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(CNC(=O)C(C)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)c1
InChIInChI=1S/C25H33N3O3/c1-19(23(29)26-18-20-9-8-12-22(17-20)31-4)27-13-15-28(16-14-27)24(30)25(2,3)21-10-6-5-7-11-21/h5-12,17,19H,13-16,18H2,1-4H3,(H,26,29)
InChIKeyPADKIICVQVMLTA-UHFFFAOYSA-N
XLogP2.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 31933904
N-[(3-methoxyphenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55525118
N-carbamoyl-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 42949633
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 134019664
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide
CID 55565482
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 55526128
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 46561331
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2471637
2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 46571611
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide (CID 55565579) is N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide is COc1cccc(CNC(=O)C(C)N2CCN(C(=O)C(C)(C)c3ccccc3)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
The InChIKey is PADKIICVQVMLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-19(23(29)26-18-20-9-8-12-22(17-20)31-4)27-13-15-28(16-14-27)24(30)25(2,3)21-10-6-5-7-11-21/h5-12,17,19H,13-16,18H2,1-4H3,(H,26,29).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide?
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide has a molecular weight of 423.56 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55565579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).