N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide

C26H35N3O2 — CID 42699656

IUPACN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide
SMILESCC(C)C(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)CCc1ccccc1
InChIInChI=1S/C26H35N3O2/c1-22(2)26(31)29(15-13-23-9-5-3-6-10-23)16-14-25(30)28-19-17-27(18-20-28)21-24-11-7-4-8-12-24/h3-12,22H,13-21H2,1-2H3
InChIKeyMAEBNSHRAWCDFU-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.45
Rot. Bonds9

About N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide

N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide (PubChem CID 42699656) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide
PubChem CID42699656
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide
SMILESCC(C)C(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)CCc1ccccc1
InChIInChI=1S/C26H35N3O2/c1-22(2)26(31)29(15-13-23-9-5-3-6-10-23)16-14-25(30)28-19-17-27(18-20-28)21-24-11-7-4-8-12-24/h3-12,22H,13-21H2,1-2H3
InChIKeyMAEBNSHRAWCDFU-UHFFFAOYSA-N
XLogP3.45
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-(2,6-dimethylphenyl)-1-(2-phenylethyl)urea
CID 42699849
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide
CID 42700275
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113119116
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
CID 113115363
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
CID 42698902
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-butyl-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42700280
N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide
CID 42700171
6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide
CID 3932380

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide (CID 42699656) is N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide is CC(C)C(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)CCc1ccccc1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide?
The InChIKey is MAEBNSHRAWCDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-22(2)26(31)29(15-13-23-9-5-3-6-10-23)16-14-25(30)28-19-17-27(18-20-28)21-24-11-7-4-8-12-24/h3-12,22H,13-21H2,1-2H3.
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide?
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide has a molecular weight of 421.59 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 42699656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).