N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide

C22H29N3O — CID 51284732

IUPACN-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(C)C(NC(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H29N3O/c1-18(2)22(19-9-5-3-6-10-19)23-21(26)17-24-13-15-25(16-14-24)20-11-7-4-8-12-20/h3-12,18,22H,13-17H2,1-2H3,(H,23,26)
InChIKeyYEGILDXJNXRUPJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.32
Rot. Bonds6

About N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 51284732) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID51284732
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(C)C(NC(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H29N3O/c1-18(2)22(19-9-5-3-6-10-19)23-21(26)17-24-13-15-25(16-14-24)20-11-7-4-8-12-20/h3-12,18,22H,13-17H2,1-2H3,(H,23,26)
InChIKeyYEGILDXJNXRUPJ-UHFFFAOYSA-N
XLogP3.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 46665939
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 79322682
N-(2-methyl-1-phenylpropyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 42891215
2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]propanamide
CID 154447735
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464684
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46666038
N-[(1R)-2-methyl-1-phenylpropyl]-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetamide
CID 52763089
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688549
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794
2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 29230660
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688385
N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 125164687

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 51284732) is N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide is CC(C)C(NC(=O)CN1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is YEGILDXJNXRUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18(2)22(19-9-5-3-6-10-19)23-21(26)17-24-13-15-25(16-14-24)20-11-7-4-8-12-20/h3-12,18,22H,13-17H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 351.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 51284732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).