N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide

C21H27N3O — CID 42858943

IUPACN-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-18(21(25)22(2)17-19-9-5-3-6-10-19)23-13-15-24(16-14-23)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3
InChIKeyNALDFGAZKZHXHU-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.86
Rot. Bonds5

About N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide

N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 42858943) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
PubChem CID42858943
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
SMILESCC(C(=O)N(C)Cc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H27N3O/c1-18(21(25)22(2)17-19-9-5-3-6-10-19)23-13-15-24(16-14-23)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3
InChIKeyNALDFGAZKZHXHU-UHFFFAOYSA-N
XLogP2.86
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropanamide
CID 46056009
(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide
CID 95610823
N-benzyl-N-methyl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 86919646
N-benzyl-N-methyl-2-(4-methylpiperidin-1-yl)propanamide
CID 134062840
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-phenyl-1,4-diazepan-1-yl)propanamide
CID 112843115
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 46662860
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 87015655
N-benzyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylpropanamide
CID 110877728
(2R)-N-benzyl-N-methyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 8512379
(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30738921
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-benzyl-N-methylpropanamide;hydrochloride
CID 120760688

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide (CID 42858943) is N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide is CC(C(=O)N(C)Cc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is NALDFGAZKZHXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-18(21(25)22(2)17-19-9-5-3-6-10-19)23-13-15-24(16-14-23)20-11-7-4-8-12-20/h3-12,18H,13-17H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide?
N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 42858943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).