2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide

C25H36N4O2 — CID 166191408

IUPAC2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide
SMILESCN1CCN(CC(O)CN(C)C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C25H36N4O2/c1-26-13-15-28(16-14-26)20-24(30)19-27(2)25(31)21-29(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-12,24,30H,13-21H2,1-2H3
InChIKeyGQZVBRWDURNDTP-UHFFFAOYSA-N
MW424.59 g/mol
LogP1.76
Rot. Bonds10

About 2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide

2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide (PubChem CID 166191408) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide
PubChem CID166191408
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide
SMILESCN1CCN(CC(O)CN(C)C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C25H36N4O2/c1-26-13-15-28(16-14-26)20-24(30)19-27(2)25(31)21-29(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-12,24,30H,13-21H2,1-2H3
InChIKeyGQZVBRWDURNDTP-UHFFFAOYSA-N
XLogP1.76
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
CID 59799485
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide
CID 111695265
3-(furan-2-yl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide
CID 111695342
3-[2-(dimethylamino)phenyl]-1-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 95636394
1-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-3-morpholin-4-ylpropan-2-ol
CID 42794999
3-(2,4-dimethylphenyl)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpropanamide
CID 111695243
4-[4-[3-[benzyl(methyl)amino]-2-hydroxypropyl]piperazin-1-yl]benzenesulfonamide
CID 86882570
3-(3,5-difluorophenyl)-1-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1-methylurea
CID 95636392
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 111695291
(2R)-N-benzyl-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-methylpropanamide
CID 95610823
1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
CID 111489897
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,2,4-trimethylbenzamide
CID 111695266

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide?
The IUPAC name of 2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide (CID 166191408) is 2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide.
What is the SMILES notation for 2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide?
The canonical SMILES for 2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide is CN1CCN(CC(O)CN(C)C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide?
The InChIKey is GQZVBRWDURNDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-26-13-15-28(16-14-26)20-24(30)19-27(2)25(31)21-29(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-12,24,30H,13-21H2,1-2H3.
What are the key properties of 2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide?
2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide has a molecular weight of 424.59 g/mol, XLogP of 1.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylacetamide is sourced from PubChem (CID 166191408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).