(4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone

C21H34N4O2 — CID 95708990

IUPAC(4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone
SMILESCC(C)COc1cccc(CN2CCN[C@@H](C(=O)N3CCN(C)CC3)C2)c1
InChIInChI=1S/C21H34N4O2/c1-17(2)16-27-19-6-4-5-18(13-19)14-24-8-7-22-20(15-24)21(26)25-11-9-23(3)10-12-25/h4-6,13,17,20,22H,7-12,14-16H2,1-3H3/t20-/m1/s1
InChIKeyGNISQPDATJKPLA-HXUWFJFHSA-N
MW374.53 g/mol
LogP1.27
Rot. Bonds6

About (4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone

(4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone (PubChem CID 95708990) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone
PubChem CID95708990
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC Name(4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone
SMILESCC(C)COc1cccc(CN2CCN[C@@H](C(=O)N3CCN(C)CC3)C2)c1
InChIInChI=1S/C21H34N4O2/c1-17(2)16-27-19-6-4-5-18(13-19)14-24-8-7-22-20(15-24)21(26)25-11-9-23(3)10-12-25/h4-6,13,17,20,22H,7-12,14-16H2,1-3H3/t20-/m1/s1
InChIKeyGNISQPDATJKPLA-HXUWFJFHSA-N
XLogP1.27
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone
CID 56884568
(3S)-N'-hydroxy-1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidine-3-carboximidamide
CID 125491998
N'-hydroxy-1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidine-3-carboximidamide
CID 123192059
1-[[3-(2-methylpropoxy)phenyl]methyl]piperidine-4-carbohydrazide
CID 54848162
4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 56872361
[1-[[3-(2-methylpropoxy)phenyl]methyl]pyrrolidin-3-yl] methanesulfonate
CID 118342664
(1S,5R,6R)-3-[[3-(2-methylpropoxy)phenyl]methyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137344488
1-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-[[3-(2-methylpropoxy)phenyl]methyl]urea
CID 96516446
[4-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56915918
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742
N-[[3-(2-methylpropoxy)phenyl]methyl]thiomorpholine-4-carboxamide
CID 60580826
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone (CID 95708990) is (4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone is CC(C)COc1cccc(CN2CCN[C@@H](C(=O)N3CCN(C)CC3)C2)c1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone?
The InChIKey is GNISQPDATJKPLA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-17(2)16-27-19-6-4-5-18(13-19)14-24-8-7-22-20(15-24)21(26)25-11-9-23(3)10-12-25/h4-6,13,17,20,22H,7-12,14-16H2,1-3H3/t20-/m1/s1.
What are the key properties of (4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone has a molecular weight of 374.53 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[(2R)-4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-2-yl]methanone is sourced from PubChem (CID 95708990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).