3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide

C21H35N3O — CID 86869523

IUPAC3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide
SMILESCC(CCc1ccccc1)CC(=O)NCC(C)CN1CCN(C)CC1
InChIInChI=1S/C21H35N3O/c1-18(9-10-20-7-5-4-6-8-20)15-21(25)22-16-19(2)17-24-13-11-23(3)12-14-24/h4-8,18-19H,9-17H2,1-3H3,(H,22,25)
InChIKeyNHEZEYYQRIVSED-UHFFFAOYSA-N
MW345.53 g/mol
LogP2.65
Rot. Bonds9

About 3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide

3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide (PubChem CID 86869523) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide
PubChem CID86869523
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide
SMILESCC(CCc1ccccc1)CC(=O)NCC(C)CN1CCN(C)CC1
InChIInChI=1S/C21H35N3O/c1-18(9-10-20-7-5-4-6-8-20)15-21(25)22-16-19(2)17-24-13-11-23(3)12-14-24/h4-8,18-19H,9-17H2,1-3H3,(H,22,25)
InChIKeyNHEZEYYQRIVSED-UHFFFAOYSA-N
XLogP2.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 96570196
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
CID 86823532
3-(4-chlorophenyl)-N-[(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95580603
3-(3-chlorophenyl)-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95331476
3-amino-2-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
CID 119902468
2,2-difluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 75421066
N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 95338334
1-(2-hydroxy-2-phenylpropyl)-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]urea
CID 111507885
N-[4-[[2-methyl-3-(4-methylpiperazin-1-yl)propyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 86823630
4-benzyl-N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111152603
(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide
CID 95591362
1-(2,2-diphenylethyl)-2-methyl-3-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111356839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide?
The IUPAC name of 3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide (CID 86869523) is 3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide?
The canonical SMILES for 3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide is CC(CCc1ccccc1)CC(=O)NCC(C)CN1CCN(C)CC1.
What is the InChIKey of 3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide?
The InChIKey is NHEZEYYQRIVSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-18(9-10-20-7-5-4-6-8-20)15-21(25)22-16-19(2)17-24-13-11-23(3)12-14-24/h4-8,18-19H,9-17H2,1-3H3,(H,22,25).
What are the key properties of 3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide?
3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide has a molecular weight of 345.53 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-5-phenylpentanamide is sourced from PubChem (CID 86869523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).