N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide

C25H35N3O — CID 126539567

IUPACN-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC(C)(C)N1CCN(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H35N3O/c1-4-24(29)28(23-13-9-6-10-14-23)21-25(2,3)27-19-17-26(18-20-27)16-15-22-11-7-5-8-12-22/h5-14H,4,15-21H2,1-3H3
InChIKeyCOVCSHRIEWEHJO-UHFFFAOYSA-N
MW393.57 g/mol
LogP4.07
Rot. Bonds8

About N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide

N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide (PubChem CID 126539567) has the molecular formula C25H35N3O and a molecular weight of 393.57 g/mol. Its IUPAC name is N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide
PubChem CID126539567
Molecular FormulaC25H35N3O
Molecular Weight393.57 g/mol
Exact Mass393.28
IUPAC NameN-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC(C)(C)N1CCN(CCc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C25H35N3O/c1-4-24(29)28(23-13-9-6-10-14-23)21-25(2,3)27-19-17-26(18-20-27)16-15-22-11-7-5-8-12-22/h5-14H,4,15-21H2,1-3H3
InChIKeyCOVCSHRIEWEHJO-UHFFFAOYSA-N
XLogP4.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.57
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide
CID 3060235
N-phenyl-N-[[1-[4-(2-phenylethyl)piperazin-1-yl]cyclohexyl]methyl]propanamide
CID 126539534
N-phenyl-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
CID 3060009
N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide
CID 126509913
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 52553124
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide azide
CID 126650510
N-phenyl-N-(3-phenylpropyl)propanamide
CID 178077722
2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propanethioamide
CID 63342490
N-(3-fluorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]propanamide
CID 24769365

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide?
The IUPAC name of N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide (CID 126539567) is N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide.
What is the SMILES notation for N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide?
The canonical SMILES for N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide is CCC(=O)N(CC(C)(C)N1CCN(CCc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide?
The InChIKey is COVCSHRIEWEHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-4-24(29)28(23-13-9-6-10-14-23)21-25(2,3)27-19-17-26(18-20-27)16-15-22-11-7-5-8-12-22/h5-14H,4,15-21H2,1-3H3.
What are the key properties of N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide?
N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide has a molecular weight of 393.57 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[4-(2-phenylethyl)piperazin-1-yl]propyl]-N-phenylpropanamide is sourced from PubChem (CID 126539567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).